46903091 -OEChem-03282414412D 76 80 0 1 0 0 0 0 0999 V2000 8.9632 -0.9314 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9381 -1.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3970 -1.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9638 0.2661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8914 5.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3652 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.5622 0.8254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6912 2.5825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1454 4.1057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9716 3.5424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1612 -0.9314 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3794 -1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 0.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9387 0.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4485 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 0.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1283 1.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -1.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2995 -0.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6916 2.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3543 3.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1154 5.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9661 5.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0408 6.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0123 6.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 6.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2306 -1.5475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0561 -2.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8442 -1.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7443 -0.2254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5722 0.5283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8714 -0.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 1.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4242 1.4299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -2.9478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -2.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6845 2.1593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6249 1.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2801 -1.3283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1819 -2.1996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0532 -2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -0.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2071 0.4124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6864 -0.2931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.1752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7592 3.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.9852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.5552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8860 5.6813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5084 4.9794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5679 7.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2475 7.4389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1563 5.9682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -6.8652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -6.8652 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 7 1 0 0 0 0 1 14 1 0 0 0 0 4 15 2 0 0 0 0 5 32 1 0 0 0 0 5 40 1 0 0 0 0 6 38 1 0 0 0 0 6 41 1 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 9 11 2 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 30 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 42 1 0 0 0 0 13 16 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 17 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 22 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 23 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 24 27 1 0 0 0 0 24 60 1 0 0 0 0 25 28 2 0 0 0 0 25 61 1 0 0 0 0 26 62 1 0 0 0 0 27 29 2 0 0 0 0 27 63 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 32 37 2 0 0 0 0 33 35 1 0 0 0 0 33 67 1 0 0 0 0 34 36 2 0 0 0 0 34 68 1 0 0 0 0 35 38 2 0 0 0 0 35 69 1 0 0 0 0 36 38 1 0 0 0 0 36 70 1 0 0 0 0 37 39 1 0 0 0 0 37 71 1 0 0 0 0 39 40 2 0 0 0 0 39 72 1 0 0 0 0 40 73 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 M END > 46903091 > 1 > 945 > 8 > 0 > 10 > AAADcfB7uABAAAAAAAAAAAAAAAAAAWJAAAAwYAAABYAAAAAB9AAAHgQIQAAADSzl3ga+hpMIBEKqA7131HDCDAQ1sgAY2AG+fMgOZjLE9TuXOSjkxhHYqYeY0fIO4AAAAAAAAADAAAAAAAAAAAAAAAAAAA== > 5-[[1-(2-furylmethyl)triazol-4-yl]methyl]-3-isobutyl-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxo-1,2,5-thiadiazepan-4-one > 5-[[1-(2-furanylmethyl)-4-triazolyl]methyl]-2-[[4-(4-methoxyphenyl)phenyl]methyl]-3-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazepan-4-one > 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-2-[[4-(4-methoxyphenyl)phenyl]methyl]-3-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazepan-4-one > 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-2-[[4-(4-methoxyphenyl)phenyl]methyl]-3-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazepan-4-one > 5-[[1-(furan-2-ylmethyl)-1,2,3-triazol-4-yl]methyl]-2-[[4-(4-methoxyphenyl)phenyl]methyl]-3-(2-methylpropyl)-1,1-bis(oxidanylidene)-1,2,5-thiadiazepan-4-one > 5-[[1-(2-furfuryl)triazol-4-yl]methyl]-3-isobutyl-1,1-diketo-2-[4-(4-methoxyphenyl)benzyl]-1,2,5-thiadiazepan-4-one > InChI=1S/C30H35N5O5S/c1-22(2)17-29-30(36)33(19-26-20-34(32-31-26)21-28-5-4-15-40-28)14-16-41(37,38)35(29)18-23-6-8-24(9-7-23)25-10-12-27(39-3)13-11-25/h4-13,15,20,22,29H,14,16-19,21H2,1-3H3 > AKJVTAMHEBCIRG-UHFFFAOYSA-N > 3.6 > 577.23589041 > C30H35N5O5S > 577.7 > CC(C)CC1C(=O)N(CCS(=O)(=O)N1CC2=CC=C(C=C2)C3=CC=C(C=C3)OC)CC4=CN(N=N4)CC5=CC=CO5 > CC(C)CC1C(=O)N(CCS(=O)(=O)N1CC2=CC=C(C=C2)C3=CC=C(C=C3)OC)CC4=CN(N=N4)CC5=CC=CO5 > 119 > 577.23589041 > 0 > 41 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 8 10 26 8 12 13 3 22 24 8 22 25 8 23 26 8 24 27 8 25 28 8 27 29 8 28 29 8 31 33 8 31 34 8 32 37 8 33 35 8 34 36 8 35 38 8 36 38 8 37 39 8 39 40 8 5 32 8 5 40 8 9 11 8 9 23 8 $$$$