-ISIS- 11270914432D 21 24 0 0 0 0 0 0 0 0999 V2000 1.7167 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -1.2375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0167 -2.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -1.5875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -2.6292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 6 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 3 1 0 0 0 0 11 6 2 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 13 1 0 0 0 0 18 17 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 19 1 0 0 0 0 7 9 1 0 0 0 0 5 4 2 0 0 0 0 18 14 1 0 0 0 0 21 20 2 0 0 0 0 M END > (S0319) S0319 > (S0319) 3-Phenyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one > (S0319) 42076-13-1 > (S0319) HC; SH > (S0319) [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-2-mercapto-3-phenyl- > (S0319) true $$$$ -ISIS- 11270914432D 18 20 0 0 0 0 0 0 0 0999 V2000 1.7167 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -2.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -1.2375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8167 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -1.5875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -2.6292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 4 2 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 15 8 1 0 0 0 0 16 9 1 0 0 0 0 17 15 1 0 0 0 0 18 17 1 0 0 0 0 7 9 1 0 0 0 0 6 3 2 0 0 0 0 18 16 1 0 0 0 0 M END > (S0321) S0321 > (S0321) 3-Allyl-2-sulfanyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-b]pyridin-4-one > (S0321) 42062-91-9 > (S0321) HC; SH > (S0321) [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-2-mercapto-3-(2-propenyl)- > (S0321) true $$$$ -ISIS- 11270914432D 15 17 0 0 0 0 0 0 0 0999 V2000 0.6417 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 0.6333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 0.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 0.9833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 2.3833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 5 2 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 4 8 1 0 0 0 0 6 9 2 0 0 0 0 15 12 1 0 0 0 0 M END > (S0322) S0322 > (S0322) 2-Methyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-4-thione > (S0322) 23922-04-5 > (S0322) HC; SH; PM > (S0322) [1]Benzothieno[2,3-d]pyrimidine-4(3H)-thione, 5,6,7,8-tetrahydro-2-methyl- > (S0322) true $$$$ -ISIS- 11270914432D 13 15 0 0 0 0 0 0 0 0999 V2000 3.0375 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -1.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -0.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 0.4333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 5 4 2 0 0 0 0 6 8 2 0 0 0 0 13 11 1 0 0 0 0 M END > (S0328) S0328 > (S0328) 6,7-Dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-4-thiol > (S0328) 306281-11-8 > (S0328) HC; SH; PM > (S0328) 5H-Cyclopenta[4,5]thieno[2,3-d]pyrimidine-4-thiol, 6,7-dihydro- > (S0328) true $$$$ -ISIS- 11270914432D 20 23 0 0 0 0 0 0 0 0999 V2000 2.7792 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -0.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8500 -1.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -1.4875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 6 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 3 1 0 0 0 0 11 6 2 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 13 1 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 17 2 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 7 9 1 0 0 0 0 14 15 1 0 0 0 0 5 4 2 0 0 0 0 20 19 2 0 0 0 0 M END > (S0330) S0330 > (S0330) 3-Phenyl-2-sulfanyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one > (S0330) 300557-77-1 > (S0330) HC; SH > (S0330) 4H-Cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 3,5,6,7-tetrahydro-2-mercapto-3-phenyl- > (S0330) true $$$$ -ISIS- 11270914432D 17 19 0 0 0 0 0 0 0 0999 V2000 2.7792 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -1.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -0.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4000 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -1.4875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 4 2 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 15 8 1 0 0 0 0 16 9 1 0 0 0 0 17 15 1 0 0 0 0 7 9 1 0 0 0 0 16 17 1 0 0 0 0 6 3 2 0 0 0 0 M END > (S0333) S0333 > (S0333) 3-Allyl-2-sulfanyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one > (S0333) 113520-01-7 > (S0333) HC; SH > (S0333) 4H-Cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 3,5,6,7-tetrahydro-2-mercapto-3-(2-propenyl)- > (S0333) true $$$$ -ISIS- 11270914432D 15 17 0 0 0 0 0 0 0 0999 V2000 1.8417 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -0.0250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -0.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 0.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 1.7208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 1.9083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8458 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 4 3 2 0 0 0 0 6 8 2 0 0 0 0 14 13 1 0 0 0 0 M END > (S0336) S0336 > (S0336) 7-Methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylhydrosulfide > (S0336) 314260-78-1 > (S0336) HC; SH; PM > (S0336) [1]Benzothieno[2,3-d]pyrimidine-4-thiol, 5,6,7,8-tetrahydro-7-methyl- > (S0336) true $$$$ -ISIS- 11270914432D 19 21 0 0 0 0 0 0 0 0999 V2000 0.5792 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 0.8833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3042 -0.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -0.1917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -0.3417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 6 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 3 1 0 0 0 0 11 6 2 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 7 9 1 0 0 0 0 5 4 2 0 0 0 0 19 18 2 0 0 0 0 M END > (S0347) S0347 > (S0347) 5,6-Dimethyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one > (S0347) 59898-64-5 > (S0347) HC; SH > (S0347) Thieno[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-5,6-dimethyl-3-phenyl-2-thioxo- > (S0347) true $$$$ -ISIS- 11270914432D 22 25 0 0 0 0 0 0 0 0999 V2000 3.3000 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -1.4542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6000 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -1.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -0.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -2.8500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.1333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 6 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 6 2 0 0 0 0 13 8 1 0 0 0 0 14 5 1 0 0 0 0 15 10 1 0 0 0 0 16 15 1 0 0 0 0 17 11 1 0 0 0 0 18 11 2 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 21 17 2 0 0 0 0 22 20 2 0 0 0 0 9 8 1 0 0 0 0 5 4 2 0 0 0 0 16 13 1 0 0 0 0 22 21 1 0 0 0 0 M END > (S0351) S0351 > (S0351) 7-Methyl-3-phenyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one > (S0351) 299919-85-0 > (S0351) HC; SH > (S0351) [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-2-mercapto-7-methyl-3-phenyl- > (S0351) true $$$$ -ISIS- 11270914432D 19 21 0 0 0 0 0 0 0 0999 V2000 3.3000 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -1.4542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4000 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -1.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -0.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -2.9500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.1333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3500 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 4 2 0 0 0 0 12 8 1 0 0 0 0 13 6 1 0 0 0 0 14 5 1 0 0 0 0 15 14 1 0 0 0 0 16 15 2 0 0 0 0 17 10 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 9 8 1 0 0 0 0 6 3 2 0 0 0 0 18 12 1 0 0 0 0 M END > (S0352) S0352 > (S0352) 3-Allyl-7-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one > (S0352) 307512-22-7 > (S0352) HC; SH > (S0352) [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-2-mercapto-7-methyl-3-(2-propenyl)- > (S0352) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 2.2875 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -2.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -1.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3875 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -1.7292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 0.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -2.7875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 4 2 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 15 8 1 0 0 0 0 16 9 1 0 0 0 0 7 9 1 0 0 0 0 6 3 2 0 0 0 0 M END > (S0362) S0362 > (S0362) 3-Allyl-5,6-dimethyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one > (S0362) 51486-16-9 > (S0362) HC; SH > (S0362) Thieno[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-5,6-dimethyl-3-(2-propenyl)-2-thioxo- > (S0362) true $$$$ -ISIS- 11270914432D 14 16 0 0 0 0 0 0 0 0999 V2000 3.4292 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -1.3167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -0.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 0.9708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.4208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 4 5 2 0 0 0 0 6 8 2 0 0 0 0 14 13 1 0 0 0 0 M END > (S0368) S0368 > (S0368) 5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidine-4(3H)-thione > (S0368) 40277-39-2 > (S0368) HC; SH; PM > (S0368) [1]Benzothieno[2,3-d]pyrimidine-4(3H)-thione, 5,6,7,8-tetrahydro- > (S0368) true $$$$ -ISIS- 11270914432D 17 19 0 0 0 0 0 0 0 0999 V2000 2.8625 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -2.1917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -2.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -1.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 0.1208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 5 3 1 0 0 0 0 10 7 2 0 0 0 0 16 15 1 0 0 0 0 M END > (S0375) S0375 > (S0375) 5-(4-Methylphenyl)thieno[2,3-d]pyrimidine-4(3H)-thione > (S0375) 307512-34-1 > (S0375) HC; SH; PM > (S0375) Thieno[2,3-d]pyrimidine-4(3H)-thione, 5-(4-methylphenyl)- > (S0375) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 2.9167 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -1.1292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -1.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -0.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 1.2083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 5 4 2 0 0 0 0 6 8 2 0 0 0 0 M END > (S0376) S0376 > (S0376) 5,6-Dimethylthieno[2,3-d]pyrimidine-4(3H)-thione > (S0376) 307512-33-0 > (S0376) HC; SH; PM > (S0376) Thieno[2,3-d]pyrimidine-4(3H)-thione, 5,6-dimethyl- > (S0376) true $$$$ -ISIS- 11270914432D 18 20 0 0 0 0 0 0 0 0999 V2000 2.9250 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.2042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -2.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -1.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 0.1333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 2.2833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 6 1 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 16 1 0 0 0 0 15 4 1 0 0 0 0 16 13 2 0 0 0 0 17 12 1 0 0 0 0 18 14 1 0 0 0 0 4 3 2 0 0 0 0 8 6 2 0 0 0 0 14 17 2 0 0 0 0 M END > (S0377) S0377 > (S0377) 5-(4-Chlorophenyl)-6-methylthieno[2,3-d]pyrimidine-4(3H)-thione > (S0377) 500198-74-3 > (S0377) HA; HC; SH; PM > (S0377) Thieno[2,3-d]pyrimidine-4(3H)-thione, 5-(4-chlorophenyl)-6-methyl- > (S0377) true $$$$ -ISIS- 11270914432D 23 26 0 0 0 0 0 0 0 0999 V2000 0.3042 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 0.4083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3042 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -0.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 -0.6792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -0.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5375 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 2 1 0 0 0 0 11 6 2 0 0 0 0 12 5 1 0 0 0 0 13 7 1 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 13 2 0 0 0 0 17 13 1 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 20 17 2 0 0 0 0 21 14 2 0 0 0 0 22 18 2 0 0 0 0 23 20 1 0 0 0 0 8 9 1 0 0 0 0 5 4 2 0 0 0 0 23 19 2 0 0 0 0 22 21 1 0 0 0 0 M END > (S0378) S0378 > (S0378) 3,5-Diphenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one > (S0378) 142465-09-6 > (S0378) HC; SH > (S0378) Thieno[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-3,5-diphenyl-2-thioxo- > (S0378) true $$$$ -ISIS- 07201111452D 22 24 0 0 0 0 0 0 0 0999 V2000 2.3667 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -3.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.0292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8000 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -3.1167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -3.2667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 4 2 0 0 0 0 12 6 1 0 0 0 0 13 5 1 0 0 0 0 14 13 1 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 14 2 0 0 0 0 18 19 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 18 1 0 0 0 0 22 21 1 0 0 0 0 8 9 1 0 0 0 0 6 3 2 0 0 0 0 18 20 2 0 0 0 0 M END > (S0380) S0380 > (S0380) 3-Allyl-5-(4-methoxyphenyl)-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one > (S0380) 307512-27-2 > (S0380) HC; SH > (S0380) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 0.4417 0.7833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2667 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 1.5708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 2.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 1.5708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 0.1125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 10 2 0 0 0 0 4 3 1 0 0 0 0 12 11 1 0 0 0 0 M END > (S0381) S0381 > (S0381) 1-phenyl-1H-tetrazole-5-thiol > (S0381) 86-93-1 > (S0381) HC; SH; T > (S0381) 1H-tetrazole, 1-phenyl-5-thiol > (S0381) true $$$$ -ISIS- 11270914432D 10 11 0 0 0 0 0 0 0 0999 V2000 2.1792 -1.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3500 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -1.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -2.4000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 6 2 0 0 0 0 10 9 1 0 0 0 0 3 4 1 0 0 0 0 7 10 2 0 0 0 0 M END > (S0460) S0460 > (S0460) [1,2,4]Triazolo[4,3-a]pyridine-3-thiol > (S0460) 6952-68-7 > (S0460) HC; SH > (S0460) [1,2,4]Triazolo[4,3-a]pyridine-3-thiol > (S0460) true $$$$ -ISIS- 07201111452D 24 26 0 0 0 0 0 0 0 0999 V2000 3.5500 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -2.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -0.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -2.9792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -4.2792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 4 2 0 0 0 0 7 1 1 0 0 0 0 8 7 3 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 2 1 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 10 2 0 0 0 0 15 10 1 0 0 0 0 16 18 1 0 0 0 0 17 21 2 0 0 0 0 18 15 2 0 0 0 0 19 14 1 0 0 0 0 20 12 2 0 0 0 0 21 13 1 0 0 0 0 22 16 1 0 0 0 0 23 17 1 0 0 0 0 24 23 1 0 0 0 0 3 5 2 0 0 0 0 17 20 1 0 0 0 0 19 16 2 0 0 0 0 M END > (S0605) S0605 > (S0605) 6-(4-Chlorophenyl)-2-mercapto-4-(4-methoxyphenyl)nicotinonitrile > (S0605) - > (S0605) HC; SH > (S0605) true $$$$ -ISIS- 12091012012D 24 26 0 0 0 0 0 0 0 0999 V2000 4.0167 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -2.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -0.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -2.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2875 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -2.8875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 2.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 5 2 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 8 3 0 0 0 0 10 13 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 6 1 0 0 0 0 14 7 2 0 0 0 0 15 4 1 0 0 0 0 16 11 1 0 0 0 0 17 11 2 0 0 0 0 18 19 2 0 0 0 0 19 17 1 0 0 0 0 20 16 2 0 0 0 0 21 18 1 0 0 0 0 22 10 1 0 0 0 0 23 10 1 0 0 0 0 24 21 1 0 0 0 0 3 6 1 0 0 0 0 20 18 1 0 0 0 0 12 10 1 0 0 0 0 M END > (S0606) S0606 > (S0606) 2-Mercapto-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile > (S0606) - > (S0606) AK; HC; SH > (S0606) true $$$$ -ISIS- 12091012012D 22 24 0 0 0 0 0 0 0 0999 V2000 3.5542 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -3.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -1.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -3.0292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7000 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -3.4000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 3 0 0 0 0 10 12 1 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 7 2 0 0 0 0 14 3 1 0 0 0 0 15 4 1 0 0 0 0 16 10 1 0 0 0 0 17 10 1 0 0 0 0 18 14 1 0 0 0 0 19 14 2 0 0 0 0 20 19 1 0 0 0 0 21 18 2 0 0 0 0 22 20 2 0 0 0 0 2 6 1 0 0 0 0 11 10 1 0 0 0 0 21 22 1 0 0 0 0 M END > (S0607) S0607 > (S0607) 2-Mercapto-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile > (S0607) - > (S0607) AK; HC; SH > (S0607) true $$$$ -ISIS- 12091012012D 18 19 0 0 0 0 0 0 0 0999 V2000 3.5542 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -2.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -0.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -2.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7000 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -2.7792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 3 0 0 0 0 10 12 1 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 7 2 0 0 0 0 14 4 1 0 0 0 0 15 3 1 0 0 0 0 16 10 1 0 0 0 0 17 10 1 0 0 0 0 18 15 1 0 0 0 0 2 6 1 0 0 0 0 11 10 1 0 0 0 0 M END > (S0608) S0608 > (S0608) 4-Ethyl-2-mercapto-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile > (S0608) - > (S0608) AK; HC; SH > (S0608) true $$$$ -ISIS- 12091012012D 22 25 0 0 0 0 0 0 0 0999 V2000 2.1875 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -0.9042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9000 -2.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -1.9875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 0.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -2.1500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 6 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 3 1 0 0 0 0 11 6 2 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 10 1 0 0 0 0 16 10 2 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 16 1 0 0 0 0 20 15 2 0 0 0 0 21 19 2 0 0 0 0 22 17 1 0 0 0 0 9 7 1 0 0 0 0 4 5 2 0 0 0 0 18 22 1 0 0 0 0 21 20 1 0 0 0 0 M END > (S0609) S0609 > (S0609) 2-Mercapto-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one > (S0609) 59898-71-4 > (S0609) HC; SH > (S0609) true $$$$ -ISIS- 07201111452D 22 25 0 0 0 0 0 0 0 0999 V2000 1.6167 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -1.4375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6292 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -2.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -2.5167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -2.6792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 5 1 0 0 0 0 15 10 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 18 11 2 0 0 0 0 19 11 1 0 0 0 0 20 19 2 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 9 8 1 0 0 0 0 4 5 2 0 0 0 0 17 16 2 0 0 0 0 21 22 2 0 0 0 0 M END > (S0610) S0610 > (S0610) 5-(2-Furyl)-2-mercapto-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one > (S0610) - > (S0610) HC; SH > (S0610) true $$$$ -ISIS- 12091012012D 23 26 0 0 0 0 0 0 0 0999 V2000 0.4667 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.0542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4792 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -3.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -3.1417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -0.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -3.3042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 8 2 0 0 0 0 13 11 1 0 0 0 0 14 2 1 0 0 0 0 15 6 2 0 0 0 0 16 12 1 0 0 0 0 17 5 1 0 0 0 0 18 13 1 0 0 0 0 19 14 1 0 0 0 0 20 14 2 0 0 0 0 21 20 1 0 0 0 0 22 19 2 0 0 0 0 23 21 2 0 0 0 0 10 9 1 0 0 0 0 4 5 2 0 0 0 0 16 13 2 0 0 0 0 22 23 1 0 0 0 0 M END > (S0611) S0611 > (S0611) 5-(5-methyl-2-furyl)-3-phenyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one > (S0611) - > (S0611) HC; SH > (S0611) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 0.8875 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 0.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 0.1208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 0.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 5 2 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 10 2 0 0 0 0 12 10 1 0 0 0 0 13 5 1 0 0 0 0 14 12 1 0 0 0 0 8 11 1 0 0 0 0 4 7 1 0 0 0 0 M END > (S0612) S0612 > (S0612) 7-methoxy-4-methyl-2-quinolinethiol > (S0612) 52507-57-0 > (S0612) HC; SH; Q > (S0612) 2-quinolinethiol, 7-methoxy-4-methyl- > (S0612) true $$$$ -ISIS- 12091012012D 24 27 0 0 0 0 0 0 0 0999 V2000 1.7500 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -1.5542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7500 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -2.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -2.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -0.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -2.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 6 2 0 0 0 0 13 5 1 0 0 0 0 14 11 2 0 0 0 0 15 11 1 0 0 0 0 16 15 2 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 19 10 2 0 0 0 0 20 10 1 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 20 2 0 0 0 0 24 23 1 0 0 0 0 9 8 1 0 0 0 0 4 5 2 0 0 0 0 17 18 2 0 0 0 0 22 24 2 0 0 0 0 M END > (S0613) S0613 > (S0613) 2-Mercapto-5-(4-methylphenyl)-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one > (S0613) - > (S0613) HC; SH > (S0613) true $$$$ -ISIS- 12091012012D 24 27 0 0 0 0 0 0 0 0999 V2000 1.7500 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -1.9500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7500 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -3.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -3.0292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -0.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -3.1875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 1.4333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 6 2 0 0 0 0 13 5 1 0 0 0 0 14 11 2 0 0 0 0 15 11 1 0 0 0 0 16 17 1 0 0 0 0 17 15 2 0 0 0 0 18 14 1 0 0 0 0 19 16 1 0 0 0 0 20 10 1 0 0 0 0 21 10 2 0 0 0 0 22 21 1 0 0 0 0 23 20 2 0 0 0 0 24 22 2 0 0 0 0 9 8 1 0 0 0 0 4 5 2 0 0 0 0 18 16 2 0 0 0 0 23 24 1 0 0 0 0 M END > (S0614) S0614 > (S0614) 5-(4-Fluorophenyl)-2-mercapto-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one > (S0614) - > (S0614) FL; HC; SH > (S0614) true $$$$ -ISIS- 07201111452D 24 27 0 0 0 0 0 0 0 0999 V2000 1.7500 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -1.9667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7500 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -3.0500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -0.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -3.2000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 1.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 6 2 0 0 0 0 13 5 1 0 0 0 0 14 11 2 0 0 0 0 15 11 1 0 0 0 0 16 17 1 0 0 0 0 17 15 2 0 0 0 0 18 14 1 0 0 0 0 19 16 1 0 0 0 0 20 10 1 0 0 0 0 21 10 2 0 0 0 0 22 21 1 0 0 0 0 23 20 2 0 0 0 0 24 22 2 0 0 0 0 9 8 1 0 0 0 0 4 5 2 0 0 0 0 18 16 2 0 0 0 0 23 24 1 0 0 0 0 M END > (S0615) S0615 > (S0615) 5-(4-Chlorophenyl)-2-mercapto-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one > (S0615) - > (S0615) HC; SH > (S0615) true $$$$ -ISIS- 07201111452D 24 27 0 0 0 0 0 0 0 0999 V2000 1.7500 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -1.9667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7500 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -3.0500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -0.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -3.2000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -1.3667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 6 2 0 0 0 0 13 5 1 0 0 0 0 14 10 1 0 0 0 0 15 14 1 0 0 0 0 16 10 2 0 0 0 0 17 11 2 0 0 0 0 18 11 1 0 0 0 0 19 14 2 0 0 0 0 20 16 1 0 0 0 0 21 17 1 0 0 0 0 22 18 2 0 0 0 0 23 20 2 0 0 0 0 24 22 1 0 0 0 0 9 8 1 0 0 0 0 4 5 2 0 0 0 0 19 23 1 0 0 0 0 21 24 2 0 0 0 0 M END > (S0616) S0616 > (S0616) 5-(2-Chlorophenyl)-2-mercapto-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one > (S0616) - > (S0616) HC; SH > (S0616) true $$$$ -ISIS- 12091012012D 25 28 0 0 0 0 0 0 0 0999 V2000 2.0167 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -1.5542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0167 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -2.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -2.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -2.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 2 1 0 0 0 0 13 6 2 0 0 0 0 14 11 2 0 0 0 0 15 5 1 0 0 0 0 16 10 2 0 0 0 0 17 18 2 0 0 0 0 18 16 1 0 0 0 0 19 14 1 0 0 0 0 20 12 1 0 0 0 0 21 12 2 0 0 0 0 22 17 1 0 0 0 0 23 20 2 0 0 0 0 24 21 1 0 0 0 0 25 24 2 0 0 0 0 9 8 1 0 0 0 0 4 5 2 0 0 0 0 14 17 1 0 0 0 0 23 25 1 0 0 0 0 M END > (S0617) S0617 > (S0617) 5-(3,4-Dimethylphenyl)-2-mercapto-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one > (S0617) - > (S0617) HC; SH > (S0617) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 2.8500 -1.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.7000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 3 2 0 0 0 0 10 5 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 6 4 2 0 0 0 0 10 12 1 0 0 0 0 M END > (S0618) S0618 > (S0618) 4-Methylquinoline-2-thiol > (S0618) 4437-65-4 > (S0618) HC; SH; Q > (S0618) 2-Quinolinethiol, 4-methyl- > (S0618) true $$$$ -ISIS- 11270914432D 14 16 0 0 0 0 0 0 0 0999 V2000 2.5542 -1.1500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3042 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 0.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.1833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -1.2167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 9 1 0 0 0 0 9 6 2 0 0 0 0 10 2 1 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 4 5 1 0 0 0 0 7 8 2 0 0 0 0 12 14 2 0 0 0 0 M END > (S0619) S0619 > (S0619) [1,2,4]Triazolo[4,3-a]quinoline-1-thiol > (S0619) 35359-23-0 > (S0619) HC; SH > (S0619) [1,2,4]Triazolo[4,3-a]quinoline-1-thiol > (S0619) true $$$$ -ISIS- 11270914432D 15 17 0 0 0 0 0 0 0 0999 V2000 3.1542 -0.7750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6042 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 0.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 0.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -0.8500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 4 2 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 11 2 0 0 0 0 15 14 1 0 0 0 0 6 5 1 0 0 0 0 7 8 2 0 0 0 0 13 15 2 0 0 0 0 M END > (S0620) S0620 > (S0620) 4-Methyl[1,2,4]triazolo[4,3-a]quinoline-1-thiol > (S0620) 35359-27-4 > (S0620) HC; SH > (S0620) [1,2,4]Triazolo[4,3-a]quinoline-1-thiol, 4-methyl- > (S0620) true $$$$ -ISIS- 11270914432D 15 17 0 0 0 0 0 0 0 0999 V2000 2.7042 -0.4542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1542 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 0.8708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -0.1792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -0.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 7 8 1 0 0 0 0 6 5 1 0 0 0 0 14 15 2 0 0 0 0 M END > (S0621) S0621 > (S0621) 5-Phenyl[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thiol > (S0621) 26542-65-4 > (S0621) HC; SH > (S0621) Thiazolo[2,3-c][1,2,4]triazole-3-thiol, 5-phenyl- > (S0621) true $$$$ -ISIS- 11270914432D 16 18 0 0 0 0 0 0 0 0999 V2000 2.4042 -0.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8542 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 1.1833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 1.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 0.1333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -0.2042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -3.8667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 14 1 0 0 0 0 14 12 2 0 0 0 0 15 11 1 0 0 0 0 16 13 1 0 0 0 0 7 8 1 0 0 0 0 6 5 1 0 0 0 0 15 13 2 0 0 0 0 M END > (S0622) S0622 > (S0622) 5-(4-Chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thiol > (S0622) 610276-80-7 > (S0622) HA; HC; SH > (S0622) Thiazolo[2,3-c][1,2,4]triazole-3-thiol, 5-(4-chlorophenyl)- > (S0622) true $$$$ -ISIS- 12091012012D 19 21 0 0 0 0 0 0 0 0999 V2000 0.3792 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.1833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 1.5750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9917 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -0.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 2.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 0.6333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 3.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 4 2 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 15 8 1 0 0 0 0 16 9 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 9 7 1 0 0 0 0 3 6 2 0 0 0 0 19 18 1 0 0 0 0 M END > (S0625) S0625 > (S0625) 3-allyl-2-sulfanyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one > (S0625) - > (S0625) HC; SH > (S0625) true $$$$ -ISIS- 12091012012D 21 23 0 0 0 0 0 0 0 0999 V2000 -1.3958 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -4.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -2.9792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0375 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -4.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -1.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -4.2167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4875 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -2.9125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9708 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 4 2 0 0 0 0 12 6 1 0 0 0 0 13 10 1 0 0 0 0 14 5 1 0 0 0 0 15 14 1 0 0 0 0 16 15 2 0 0 0 0 17 13 1 0 0 0 0 18 10 2 0 0 0 0 19 13 2 0 0 0 0 20 18 1 0 0 0 0 21 20 2 0 0 0 0 8 9 1 0 0 0 0 6 3 2 0 0 0 0 21 19 1 0 0 0 0 M END > (S0635) S0635 > (S0635) 3-allyl-5-(2-chlorophenyl)-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one > (S0635) - > (S0635) HA; HC; SH > (S0635) true $$$$ -ISIS- 12091012012D 21 23 0 0 0 0 0 0 0 0999 V2000 2.1250 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -2.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -0.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5542 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -1.9792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -2.1375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 2.0708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 4 2 0 0 0 0 12 6 1 0 0 0 0 13 5 1 0 0 0 0 14 13 1 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 14 2 0 0 0 0 18 19 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 18 1 0 0 0 0 8 9 1 0 0 0 0 6 3 2 0 0 0 0 18 20 2 0 0 0 0 M END > (S0636) S0636 > (S0636) 3-allyl-5-(4-fluorophenyl)-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one > (S0636) - > (S0636) FL; HC; SH > (S0636) true $$$$ -ISIS- 11270914432D 11 12 0 0 0 0 0 0 0 0999 V2000 2.9417 -0.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -0.8417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 4 2 0 0 0 0 10 8 1 0 0 0 0 11 10 2 0 0 0 0 7 5 2 0 0 0 0 9 11 1 0 0 0 0 M END > (S0637) S0637 > (S0637) 2-quinolinethiol > (S0637) 2637-37-8 > (S0637) HC; SH; Q > (S0637) 2-mercaptoquinoline > (S0637) true $$$$ -ISIS- 12091012012D 14 16 0 0 0 0 0 0 0 0999 V2000 0.6417 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -0.4667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -0.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 1.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 2.2083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 5 2 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 11 1 0 0 0 0 14 9 1 0 0 0 0 8 4 1 0 0 0 0 13 12 1 0 0 0 0 6 9 2 0 0 0 0 M END > (S0645) S0645 > (S0645) 2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-4-thiol > (S0645) - > (S0645) HC; SH > (S0645) true $$$$ -ISIS- 12091012012D 21 23 0 0 0 0 0 0 0 0999 V2000 4.1542 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 0.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 1.3250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5792 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.2458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 2.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 0.0875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 3.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 3.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 4 2 0 0 0 0 12 6 1 0 0 0 0 13 5 1 0 0 0 0 14 13 1 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 14 2 0 0 0 0 18 16 2 0 0 0 0 19 15 1 0 0 0 0 20 18 1 0 0 0 0 21 20 1 0 0 0 0 8 9 1 0 0 0 0 6 3 2 0 0 0 0 20 19 2 0 0 0 0 M END > (S0647) S0647 > (S0647) 3-allyl-5-(4-methylphenyl)-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one > (S0647) - > (S0647) HC; SH > (S0647) true $$$$ -ISIS- 07201111452D 21 23 0 0 0 0 0 0 0 0999 V2000 1.7292 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -2.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -0.8875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1542 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.9667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -2.1292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 2.0208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 4 2 0 0 0 0 12 6 1 0 0 0 0 13 5 1 0 0 0 0 14 13 1 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 14 2 0 0 0 0 18 19 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 18 1 0 0 0 0 9 8 1 0 0 0 0 3 6 2 0 0 0 0 20 18 2 0 0 0 0 M END > (S0680) S0680 > (S0680) 3-allyl-5-(4-chlorophenyl)-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one > (S0680) - > (S0680) HC; SH > (S0680) true $$$$ -ISIS- 12091012012D 22 24 0 0 0 0 0 0 0 0999 V2000 2.0292 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -2.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -1.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4542 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -2.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -0.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.9875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 4 2 0 0 0 0 13 11 2 0 0 0 0 14 6 1 0 0 0 0 15 10 2 0 0 0 0 16 18 2 0 0 0 0 17 5 1 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 20 19 2 0 0 0 0 21 13 1 0 0 0 0 22 16 1 0 0 0 0 9 8 1 0 0 0 0 3 6 2 0 0 0 0 13 16 1 0 0 0 0 M END > (S0681) S0681 > (S0681) 3-allyl-5-(3,4-dimethylphenyl)-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one > (S0681) - > (S0681) HC; SH > (S0681) true $$$$ -ISIS- 12091012012D 20 22 0 0 0 0 0 0 0 0999 V2000 2.0542 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -2.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -1.7167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4875 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -2.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -2.9500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 4 2 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 5 1 0 0 0 0 14 13 1 0 0 0 0 15 14 2 0 0 0 0 16 12 2 0 0 0 0 17 12 1 0 0 0 0 18 17 2 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 9 8 1 0 0 0 0 3 6 2 0 0 0 0 19 20 2 0 0 0 0 M END > (S0682) S0682 > (S0682) 3-allyl-5-phenyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one > (S0682) - > (S0682) HC; SH > (S0682) true $$$$ -ISIS- 11270914432D 16 18 0 0 0 0 0 0 0 0999 V2000 2.2042 4.3167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6542 4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 5.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 5.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 4.5917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 3.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 4.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 16 15 1 0 0 0 0 8 7 1 0 0 0 0 5 6 1 0 0 0 0 15 14 2 0 0 0 0 M END > (S0683) S0683 > (S0683) 5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thiol > (S0683) 500112-74-3 > (S0683) HC; SH > (S0683) thiazolo[2,3-c][1,2,4]triazole-3-thiol, 5-(4-methylphenyl)- > (S0683) true $$$$ -ISIS- 12091012012D 19 21 0 0 0 0 0 0 0 0999 V2000 1.9500 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -2.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -1.5542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3792 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -2.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -0.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -0.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -2.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 4 2 0 0 0 0 12 10 1 0 0 0 0 13 6 1 0 0 0 0 14 10 2 0 0 0 0 15 5 1 0 0 0 0 16 12 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 18 2 0 0 0 0 9 8 1 0 0 0 0 3 6 2 0 0 0 0 17 16 2 0 0 0 0 M END > (S0684) S0684 > (S0684) 3-allyl-5-(2-furyl)-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one > (S0684) - > (S0684) HC; SH; FU > (S0684) true $$$$ -ISIS- 12091012012D 25 27 0 0 0 0 0 0 0 0999 V2000 3.2417 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 1.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 3.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 1.4875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 6.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 6 2 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 7 3 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 2 1 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 18 1 0 0 0 0 17 21 2 0 0 0 0 18 13 2 0 0 0 0 19 14 2 0 0 0 0 20 12 1 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 23 17 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 3 5 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 M END > (S0687) S0687 > (S0687) 4,6-bis(4-methoxyphenyl)-2-sulfanylnicotinonitrile > (S0687) - > (S0687) HC; SH > (S0687) true $$$$ -ISIS- 12091012012D 25 27 0 0 0 0 0 0 0 0999 V2000 2.7042 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 0.9708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 5.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 6 2 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 7 3 0 0 0 0 9 5 1 0 0 0 0 10 9 1 0 0 0 0 11 4 1 0 0 0 0 12 10 2 0 0 0 0 13 16 2 0 0 0 0 14 2 1 0 0 0 0 15 9 2 0 0 0 0 16 15 1 0 0 0 0 17 11 1 0 0 0 0 18 11 2 0 0 0 0 19 20 2 0 0 0 0 20 18 1 0 0 0 0 21 17 2 0 0 0 0 22 19 1 0 0 0 0 23 12 1 0 0 0 0 24 13 1 0 0 0 0 25 22 1 0 0 0 0 3 5 1 0 0 0 0 21 19 1 0 0 0 0 13 12 1 0 0 0 0 M END > (S0688) S0688 > (S0688) 6-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-2-sulfanylnicotinonitrile > (S0688) - > (S0688) HC; SH > (S0688) true $$$$ -ISIS- 12091012012D 7 7 0 0 0 0 0 0 0 0999 V2000 5.6667 2.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 0.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 1.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 1.3333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 2.4208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 5 4 1 0 0 0 0 M END > (S0690) S0690 > (S0690) 5-amino-1H-1,2,4-triazole-3-thiol > (S0690) 16691-43-3 > (S0690) AM; HC; SH > (S0690) true $$$$ -ISIS- 11270914432D 17 19 0 0 0 0 0 0 0 0999 V2000 -0.8125 5.0667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.3708 5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 6.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 6.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 5.3417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0375 4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 5.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 9 2 0 0 0 0 11 10 1 0 0 0 0 12 4 1 0 0 0 0 13 9 1 0 0 0 0 14 15 1 0 0 0 0 15 13 2 0 0 0 0 16 11 1 0 0 0 0 17 14 1 0 0 0 0 5 6 1 0 0 0 0 8 7 1 0 0 0 0 14 11 2 0 0 0 0 M END > (S0691) S0691 > (S0691) 5-(3,4-dimethylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thiol > (S0691) 885268-56-4 > (S0691) HC; SH > (S0691) thiazolo[2,3-c][1,2,4]triazole-3-thiol, 5-(3,4-dimethylphenyl)- > (S0691) true $$$$ -ISIS- 07201111452D 15 17 0 0 0 0 0 0 0 0999 V2000 3.7417 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -3.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -3.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -1.6167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 14 1 0 0 0 0 4 5 2 0 0 0 0 8 6 2 0 0 0 0 15 13 1 0 0 0 0 M END > (S0692) S0692 > (S0692) 6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-4-thiol > (S0692) - > (S0692) HC; SH > (S0692) true $$$$ -ISIS- 07201111452D 17 19 0 0 0 0 0 0 0 0999 V2000 -5.1875 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6458 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4292 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7083 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4667 -1.1000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3833 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4125 -2.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0833 -1.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3583 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5958 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8458 -0.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5458 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8833 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7833 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6000 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2583 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 3.0333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 15 1 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 17 14 1 0 0 0 0 5 3 1 0 0 0 0 10 7 2 0 0 0 0 14 16 2 0 0 0 0 M END > (S0693) S0693 > (S0693) 5-(4-chlorophenyl)thieno[2,3-d]pyrimidine-4-thiol > (S0693) - > (S0693) HC; SH > (S0693) true $$$$ -ISIS- 07201111452D 18 20 0 0 0 0 0 0 0 0999 V2000 -4.7875 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2458 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0292 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3000 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0667 1.6083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9708 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 0.5458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6708 1.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9875 3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1833 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1875 3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5458 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4875 4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2958 4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9333 4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2375 5.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 15 1 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 17 14 1 0 0 0 0 18 17 1 0 0 0 0 5 3 1 0 0 0 0 10 7 2 0 0 0 0 14 16 2 0 0 0 0 M END > (S0694) S0694 > (S0694) 5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine-4-thiol > (S0694) - > (S0694) HC; SH > (S0694) true $$$$ -ISIS- 12091012012D 16 18 0 0 0 0 0 0 0 0999 V2000 -4.8333 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2958 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0750 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1167 -3.7542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0583 -4.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 -4.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2458 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0083 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 -2.8917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5333 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2458 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4333 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 2 1 0 0 0 0 11 6 1 0 0 0 0 12 10 2 0 0 0 0 13 10 1 0 0 0 0 14 13 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 3 5 1 0 0 0 0 7 9 2 0 0 0 0 15 16 2 0 0 0 0 M END > (S0723) S0723 > (S0723) 5-phenylthieno[2,3-d]pyrimidine-4-thiol > (S0723) 182198-89-6 > (S0723) HC; SH > (S0723) true $$$$ -ISIS- 11270914432D 6 6 0 0 0 0 0 0 0 0999 V2000 0.2667 1.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 1.8958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 2.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.3958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 4 3 1 0 0 0 0 M END > (S1011) S1011 > (S1011) 1H-1,2,4-triazol-3-yl hydrosulfide > (S1011) 3179-31-5 > (S1011) HC; SH > (S1011) true $$$$ -ISIS- 11270914432D 17 19 0 0 0 0 0 0 0 0999 V2000 2.4417 -0.2292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4417 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -1.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -0.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -1.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -1.4667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 2 0 0 0 0 7 9 2 0 0 0 0 8 6 1 0 0 0 0 9 5 1 0 0 0 0 10 1 1 0 0 0 0 11 4 2 0 0 0 0 12 2 1 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 14 1 0 0 0 0 16 13 2 0 0 0 0 17 15 2 0 0 0 0 6 3 1 0 0 0 0 16 17 1 0 0 0 0 7 8 1 0 0 0 0 M END > (S1012) S1012 > (S1012) 5-phenyl-6-sulfanyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one > (S1012) 107466-19-3 > (S1012) HC; SH > (S1012) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 1.1625 0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 1.5708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 1.7458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 0.9458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 3 5 1 0 0 0 0 10 12 1 0 0 0 0 M END > (S1661) S1661 > (S1661) 5-phenyl-1,3,4-thiadiazol-2-ylhydrosulfide > (S1661) 5585-19-3 > (S1661) HC; SH > (S1661) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 2.2667 0.9333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 2.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 2.2708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 1.4625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 -0.3917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 12 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 3 5 1 0 0 0 0 11 10 1 0 0 0 0 M END > (S1662) S1662 > (S1662) 5-(4-chlorophenyl)-1,3,4-thiadiazole-2-thiol > (S1662) 63857-85-2 > (S1662) HA; HC; SH > (S1662) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 0.7750 -2.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -0.9417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -1.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -3.0292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 11 1 0 0 0 0 2 4 1 0 0 0 0 10 12 2 0 0 0 0 M END > (S1663) S1663 > (S1663) 5-phenyl-1,3,4-oxadiazole-2-thiol > (S1663) 3004-42-0 > (S1663) HC; SH > (S1663) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 1.9625 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 1.2583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 0.6458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -0.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 8 1 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 4 5 2 0 0 0 0 13 11 1 0 0 0 0 M END > (S1664) S1664 > (S1664) 5-(2-methylphenyl)-1,3,4-oxadiazole-2-thiol > (S1664) 2503-66-4 > (S1664) HC; SH > (S1664) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 1.4167 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 0.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -0.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 2.5583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 12 1 0 0 0 0 11 8 1 0 0 0 0 12 9 2 0 0 0 0 13 10 1 0 0 0 0 3 4 1 0 0 0 0 11 10 2 0 0 0 0 M END > (S1665) S1665 > (S1665) 5-(4-chlorophenyl)-1,3,4-oxadiazole-2-thiol > (S1665) 23766-28-1 > (S1665) HA; HC; SH > (S1665) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 1.8917 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 1.2583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 0.6458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -0.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 2.5625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 12 1 0 0 0 0 11 8 1 0 0 0 0 12 9 2 0 0 0 0 13 10 1 0 0 0 0 3 4 1 0 0 0 0 11 10 2 0 0 0 0 M END > (S1666) S1666 > (S1666) 5-(4-fluorophenyl)-1,3,4-oxadiazole-2-thiol > (S1666) 41421-13-0 > (S1666) FL; HC; SH > (S1666) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 1.7750 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 1.2583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 0.6458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 2.5625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4583 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -0.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 13 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 6 2 0 0 0 0 12 10 2 0 0 0 0 13 11 1 0 0 0 0 14 7 1 0 0 0 0 15 7 1 0 0 0 0 16 7 1 0 0 0 0 3 4 1 0 0 0 0 8 12 1 0 0 0 0 M END > (S1667) S1667 > (S1667) 5-[4-(tert-butyl)phenyl]-1,3,4-oxadiazol-2-ylhydrosulfide > (S1667) 306936-90-3 > (S1667) HC; SH > (S1667) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 2.4042 -0.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 0.8458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 0.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 2.1583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -1.2417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 9 2 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 6 2 0 0 0 0 11 12 2 0 0 0 0 12 10 1 0 0 0 0 3 4 1 0 0 0 0 11 7 1 0 0 0 0 M END > (S1668) S1668 > (S1668) 5-(3-pyridinyl)-1,3,4-oxadiazole-2-thiol > (S1668) 3690-46-8 > (S1668) HC; SH > (S1668) true $$$$ -ISIS- 12091012012D 7 7 0 0 0 0 0 0 0 0999 V2000 0.8542 1.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.1958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 4 3 1 0 0 0 0 M END > (S2166) S2166 > (S2166) 5-methyl-1,3,4-thiadiazole-2-thiol > (S2166) 29490-19-5 > (S2166) HC; SH > (S2166) true $$$$ -ISIS- 07201111452D 13 13 0 0 0 0 0 0 0 0999 V2000 2.1417 0.0083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 0.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 1.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 1.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 5 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 7 3 2 0 0 0 0 M END > (S2167) S2167 > (S2167) ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate > (S2167) 774-07-2 > (S2167) AC; AM; HC; SH > (S2167) true $$$$ -ISIS- 12091012012D 15 16 0 0 0 0 0 0 0 0999 V2000 6.6542 -2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -1.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -3.9375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2042 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -1.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -3.5292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0500 -4.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -2.0792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 13 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 14 8 2 0 0 0 0 15 8 1 0 0 0 0 6 3 1 0 0 0 0 12 7 2 0 0 0 0 M CHG 2 4 1 9 -1 M END > (S2802) S2802 > (S2802) 5-(4-nitrophenyl)-1,3,4-oxadiazole-2-thiol > (S2802) - > (S2802) HC; SH; NT > (S2802) true $$$$ -ISIS- 12091012012D 7 7 0 0 0 0 0 0 0 0999 V2000 -1.0583 0.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 0.3708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 7 5 2 0 0 0 0 M END > (S2806) S2806 > (S2806) pyridine-2-thiol > (S2806) 2637-34-5 > (S2806) HC; SH > (S2806) true $$$$ -ISIS- 06091114552D 10 11 0 0 0 0 0 0 0 0999 V2000 2.8167 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0833 -1.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -2.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -2.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -0.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 0.2708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 9 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 4 2 0 0 0 0 8 7 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 3 6 1 0 0 0 0 5 8 2 0 0 0 0 M END > (S3876) S3876 > (S3876) 1H-pyrazolo[3,4-d]pyrimidine-4-thiol > (S3876) 5334-23-6 > (S3876) HC; SH > (S3876) true $$$$ -ISIS- 06091114552D 11 11 0 0 0 0 0 0 0 0999 V2000 5.6125 -8.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -7.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -7.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -8.8583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -3.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6083 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3208 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 10 1 0 0 0 0 9 4 1 0 0 0 0 10 11 1 0 0 0 0 11 9 1 0 0 0 0 4 7 2 0 0 0 0 M END > (S4025) S4025 > (S4025) HC; SH > (S4025) true $$$$ -ISIS- 06091114552D 12 13 0 0 0 0 0 0 0 0999 V2000 1.5417 1.1250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8000 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 1.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 2.3958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 2.1708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 7 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 10 2 0 0 0 0 4 3 1 0 0 0 0 11 12 1 0 0 0 0 M END > (S4048) S4048 > (S4048) 4-PHENYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE > (S4048) 5373-72-8 > (S4048) HC; SH > (S4048) true $$$$