46903082 -OEChem-04182415512D 67 71 0 1 0 0 0 0 0999 V2000 3.5749 -0.9314 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -1.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 -1.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5743 0.2661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6466 5.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 -5.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 -1.3652 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9758 0.8254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3927 4.1057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8469 2.5825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5664 3.5424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3768 -0.9314 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3524 0.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9758 0.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5993 0.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 -2.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1586 -1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4097 1.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 -2.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8464 2.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 -2.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 -3.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1837 3.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0739 -2.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 -4.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0739 -3.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4226 5.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 -4.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5719 5.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -3.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 -5.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6720 -4.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -5.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4972 6.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6720 -5.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5257 6.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 -6.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3074 -1.5475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9658 0.5283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7938 -0.2254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 1.4299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4172 1.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8653 -2.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2638 -2.9478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7721 -2.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6434 -1.9414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5452 -1.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9131 1.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8536 2.1593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 -1.7452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8049 -4.1752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7789 3.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6109 -2.5552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 -4.9852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0297 4.9794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 5.6813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -3.2452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 -5.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2089 -4.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -6.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9701 7.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2906 7.4389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3817 5.9682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9180 -6.8652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 -7.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1580 -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 13 1 0 0 0 0 4 15 2 0 0 0 0 5 29 1 0 0 0 0 5 37 1 0 0 0 0 6 35 1 0 0 0 0 6 38 1 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 16 19 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 21 51 1 0 0 0 0 22 25 2 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 24 26 2 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 34 2 0 0 0 0 30 32 1 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 35 2 0 0 0 0 32 60 1 0 0 0 0 33 35 1 0 0 0 0 33 61 1 0 0 0 0 34 36 1 0 0 0 0 34 62 1 0 0 0 0 36 37 2 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 38 65 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 M END > 46903082 > 1 > 885 > 8 > 0 > 8 > AAADceB7uABAAAAAAAAAAAAAAAAAAWJAAAAwYAAABYAAAAAB9AAAHgQIQAAADCzl3ga+hpMIBEKqA7131HDCDAQ1sgAY2AG+fMgOZjLE9TuXOSjkxhHYqYeY0fIO4AAAAAAAAADAAAAAAAAAAAAAAAAAAA== > 5-[[1-(2-furylmethyl)triazol-4-yl]methyl]-2-[[4-(4-methoxyphenyl)phenyl]methyl]-3-methyl-1,1-dioxo-1,2,5-thiadiazepan-4-one > 5-[[1-(2-furanylmethyl)-4-triazolyl]methyl]-2-[[4-(4-methoxyphenyl)phenyl]methyl]-3-methyl-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-methyl-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-methyl-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-methyl-1,1-bis(oxidanylidene)-1,2,5-thiadiazepan-4-one > 5-[[1-(2-furfuryl)triazol-4-yl]methyl]-1,1-diketo-2-[4-(4-methoxyphenyl)benzyl]-3-methyl-1,2,5-thiadiazepan-4-one > InChI=1S/C27H29N5O5S/c1-20-27(33)30(17-24-18-31(29-28-24)19-26-4-3-14-37-26)13-15-38(34,35)32(20)16-21-5-7-22(8-6-21)23-9-11-25(36-2)12-10-23/h3-12,14,18,20H,13,15-17,19H2,1-2H3 > BAESZXNSUXEZBT-UHFFFAOYSA-N > 2.3 > 535.18894022 > C27H29N5O5S > 535.6 > CC1C(=O)N(CCS(=O)(=O)N1CC2=CC=C(C=C2)C3=CC=C(C=C3)OC)CC4=CN(N=N4)CC5=CC=CO5 > 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 > 535.18894022 > 0 > 38 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 8 10 20 8 12 17 3 19 21 8 19 22 8 20 23 8 21 24 8 22 25 8 24 26 8 25 26 8 28 30 8 28 31 8 29 34 8 30 32 8 31 33 8 32 35 8 33 35 8 34 36 8 36 37 8 5 29 8 5 37 8 9 11 8 9 23 8 $$$$