46903094 -OEChem-05092413112D 66 70 0 1 0 0 0 0 0999 V2000 3.5749 -1.4314 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -1.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 -2.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5743 -0.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6466 4.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 -1.8652 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9758 0.3254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3927 3.6057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8469 2.0825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5664 3.0424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3768 -1.4314 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3524 -0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9758 0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5993 -0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 -2.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1586 -2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4097 1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 -3.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8464 2.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 -4.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 -2.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1837 2.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 -4.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0739 -3.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0739 -4.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4226 4.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 -4.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5719 5.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -4.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 -5.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6720 -4.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -6.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6720 -5.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4972 6.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5257 6.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 -6.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3074 -2.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9658 0.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7938 -0.7254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 0.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4172 0.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8653 -2.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2638 -3.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7721 -2.5396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6434 -2.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5452 -1.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9131 0.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8536 1.6593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8049 -4.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 -2.2452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7789 3.1679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 -5.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6109 -3.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0297 4.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 5.1813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -3.7452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 -6.1752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2089 -4.5552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -6.9852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9701 6.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2906 6.9389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2280 -6.9022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0750 -6.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8480 -5.8283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3817 5.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 4 14 2 0 0 0 0 5 28 1 0 0 0 0 5 37 1 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 15 18 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 19 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 20 23 1 0 0 0 0 20 50 1 0 0 0 0 21 24 2 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 23 25 2 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 34 2 0 0 0 0 29 31 1 0 0 0 0 29 57 1 0 0 0 0 30 32 2 0 0 0 0 30 58 1 0 0 0 0 31 33 2 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 61 1 0 0 0 0 35 37 2 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 M END > 46903094 > 1 > 867 > 7 > 0 > 7 > AAADceB7uABAAAAAAAAAAAAAAAAAAWJAAAAwYAAABYAAAAAB9AAAHgQIQAAADCzl3ga+hJMIBEKqA7131HDCDAQ1sgAY2AG+fMgOZjLE9TuXOSjkxhHYqYeYkcIOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 5-[[1-(2-furylmethyl)triazol-4-yl]methyl]-3-methyl-1,1-dioxo-2-[[4-(p-tolyl)phenyl]methyl]-1,2,5-thiadiazepan-4-one > 5-[[1-(2-furanylmethyl)-4-triazolyl]methyl]-3-methyl-2-[[4-(4-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2,5-thiadiazepan-4-one > 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-3-methyl-2-[[4-(4-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2,5-thiadiazepan-4-one > 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-3-methyl-2-[[4-(4-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2,5-thiadiazepan-4-one > 5-[[1-(furan-2-ylmethyl)-1,2,3-triazol-4-yl]methyl]-3-methyl-2-[[4-(4-methylphenyl)phenyl]methyl]-1,1-bis(oxidanylidene)-1,2,5-thiadiazepan-4-one > 5-[[1-(2-furfuryl)triazol-4-yl]methyl]-1,1-diketo-3-methyl-2-[4-(p-tolyl)benzyl]-1,2,5-thiadiazepan-4-one > InChI=1S/C27H29N5O4S/c1-20-5-9-23(10-6-20)24-11-7-22(8-12-24)16-32-21(2)27(33)30(13-15-37(32,34)35)17-25-18-31(29-28-25)19-26-4-3-14-36-26/h3-12,14,18,21H,13,15-17,19H2,1-2H3 > OKBCXQJLCMYJOC-UHFFFAOYSA-N > 2.7 > 519.19402560 > C27H29N5O4S > 519.6 > CC1C(=O)N(CCS(=O)(=O)N1CC2=CC=C(C=C2)C3=CC=C(C=C3)C)CC4=CN(N=N4)CC5=CC=CO5 > CC1C(=O)N(CCS(=O)(=O)N1CC2=CC=C(C=C2)C3=CC=C(C=C3)C)CC4=CN(N=N4)CC5=CC=CO5 > 110 > 519.19402560 > 0 > 37 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 16 3 18 20 8 18 21 8 19 22 8 20 23 8 21 24 8 23 25 8 24 25 8 27 29 8 27 30 8 28 34 8 29 31 8 30 32 8 31 33 8 32 33 8 34 35 8 35 37 8 5 28 8 5 37 8 8 10 8 8 22 8 9 10 8 9 19 8 $$$$