60158805 -OEChem-04242407522D 63 66 0 1 0 0 0 0 0999 V2000 4.5631 -2.6565 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0903 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5882 -2.8790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -3.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0778 -2.9146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9979 -4.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0903 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9641 -0.8997 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5547 1.8173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 1.7689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3809 2.3806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3651 -2.6565 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5876 -1.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3406 -1.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -0.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3980 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1469 -3.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8347 0.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8351 0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6133 2.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2268 -1.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4347 3.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1976 3.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4934 3.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 4.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3148 4.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0776 5.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8991 6.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2956 -3.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1462 -1.9505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9742 -1.1968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 -1.1968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7820 -1.9505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1021 -0.2952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4055 -0.6307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -4.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -3.9827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9014 -0.3607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8418 0.4342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4558 0.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.9003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9933 2.1515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5087 1.5435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.2803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.7103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8399 -2.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3192 -1.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6137 -1.8334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 3.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0204 3.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 5.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7311 4.6690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5091 6.2011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7884 6.7004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 5.9796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 2 28 1 0 0 0 0 5 18 1 0 0 0 0 5 27 1 0 0 0 0 6 18 2 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 19 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 20 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 21 47 1 0 0 0 0 22 25 1 0 0 0 0 22 48 1 0 0 0 0 23 26 2 0 0 0 0 23 49 1 0 0 0 0 24 29 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 28 2 0 0 0 0 25 52 1 0 0 0 0 26 28 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 57 1 0 0 0 0 31 33 2 0 0 0 0 31 58 1 0 0 0 0 32 34 2 0 0 0 0 32 59 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 34 35 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 M END > 60158805 > 1 > 796 > 9 > 0 > 8 > AAADceB7uQBAAAAAAAAAAAAAAAAAAWAAAAAwYAAABYAAAAAB0AAAHwQIQAAADCjF3g6+iJMIBAKqAzT3THDCBAQxkgAY2AG4dIgKYCrA0TGVIAhigADYiAcQgAAOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > methyl 2-[(4-fluorophenyl)methyl]-1,1-dioxo-5-[[1-(p-tolylmethyl)triazol-4-yl]methyl]-1,2,5-thiadiazepane-3-carboxylate > 2-[(4-fluorophenyl)methyl]-5-[[1-[(4-methylphenyl)methyl]-4-triazolyl]methyl]-1,1-dioxo-1,2,5-thiadiazepane-3-carboxylic acid methyl ester > methyl 2-[(4-fluorophenyl)methyl]-5-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-1,2,5-thiadiazepane-3-carboxylate > methyl 2-[(4-fluorophenyl)methyl]-5-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-1,2,5-thiadiazepane-3-carboxylate > methyl 2-[(4-fluorophenyl)methyl]-5-[[1-[(4-methylphenyl)methyl]-1,2,3-triazol-4-yl]methyl]-1,1-bis(oxidanylidene)-1,2,5-thiadiazepane-3-carboxylate > 2-(4-fluorobenzyl)-1,1-diketo-5-[[1-(4-methylbenzyl)triazol-4-yl]methyl]-1,2,5-thiadiazepane-3-carboxylic acid methyl ester > InChI=1S/C24H28FN5O4S/c1-18-3-5-19(6-4-18)13-29-16-22(26-27-29)15-28-11-12-35(32,33)30(23(17-28)24(31)34-2)14-20-7-9-21(25)10-8-20/h3-10,16,23H,11-15,17H2,1-2H3 > IAPVNEKFFFPXSW-UHFFFAOYSA-N > 2.1 > 501.18460373 > C24H28FN5O4S > 501.6 > CC1=CC=C(C=C1)CN2C=C(N=N2)CN3CCS(=O)(=O)N(C(C3)C(=O)OC)CC4=CC=C(C=C4)F > CC1=CC=C(C=C1)CN2C=C(N=N2)CN3CCS(=O)(=O)N(C(C3)C(=O)OC)CC4=CC=C(C=C4)F > 106 > 501.18460373 > 0 > 35 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 8 10 20 8 12 18 3 19 22 8 19 23 8 20 21 8 22 25 8 23 26 8 25 28 8 26 28 8 29 30 8 29 31 8 30 32 8 31 33 8 32 34 8 33 34 8 9 11 8 9 21 8 $$$$