46903099 -OEChem-03192407222D 72 76 0 1 0 0 0 0 0999 V2000 5.5146 -1.4314 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4896 -1.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9485 -2.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5153 -0.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4429 4.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6137 -1.8652 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1137 0.3254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 2.0825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6969 3.6057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5231 3.0424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7127 -1.4314 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9309 -2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7372 -0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4902 -0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1137 0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6137 -2.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0799 -3.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6798 1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4797 -3.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2431 2.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3457 -2.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4797 -4.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9058 2.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2118 -3.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3457 -4.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2118 -4.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0778 -4.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6669 4.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5176 5.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0778 -5.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9438 -4.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9438 -6.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8098 -4.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8098 -5.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5924 6.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5638 6.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6759 -6.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0895 5.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7821 -2.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8385 -1.4418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -0.7254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1237 0.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6723 0.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9757 0.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0031 -2.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4016 -3.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2265 -1.1124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4229 -1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7735 -2.2666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 -3.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1723 -3.6568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -2.9513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 1.6593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1764 0.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3457 -2.2452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9428 -4.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3107 3.1679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7487 -3.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3457 -5.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4376 5.1813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0598 4.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5408 -6.1752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9438 -3.7452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9438 -6.9852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3468 -4.5552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1194 6.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7990 6.9389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3659 -6.9022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2128 -6.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9859 -5.8283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7078 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 13 1 0 0 0 0 4 14 2 0 0 0 0 5 30 1 0 0 0 0 5 39 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 8 10 2 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 29 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 40 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 41 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 20 1 0 0 0 0 16 46 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 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 21 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 22 25 1 0 0 0 0 22 56 1 0 0 0 0 23 26 2 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 25 27 2 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 36 2 0 0 0 0 31 33 1 0 0 0 0 31 63 1 0 0 0 0 32 34 2 0 0 0 0 32 64 1 0 0 0 0 33 35 2 0 0 0 0 33 65 1 0 0 0 0 34 35 1 0 0 0 0 34 66 1 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 36 67 1 0 0 0 0 37 39 2 0 0 0 0 37 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 72 1 0 0 0 0 M END > 46903099 > 1 > 911 > 7 > 0 > 8 > AAADcfB7uABAAAAAAAAAAAAAAAAAAWJAAAAwYAAABYAAAAAB9AAAHgQIQAAADSzl3ga+hJMIBEKqA7131HDCDAQ1sgAY2AG+fMgOZjLE9TuXOSjkxhHYqYeYkcIOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 5-[[1-(2-furylmethyl)triazol-4-yl]methyl]-3-isopropyl-1,1-dioxo-2-[[4-(p-tolyl)phenyl]methyl]-1,2,5-thiadiazepan-4-one > 5-[[1-(2-furanylmethyl)-4-triazolyl]methyl]-2-[[4-(4-methylphenyl)phenyl]methyl]-1,1-dioxo-3-propan-2-yl-1,2,5-thiadiazepan-4-one > 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-2-[[4-(4-methylphenyl)phenyl]methyl]-1,1-dioxo-3-propan-2-yl-1,2,5-thiadiazepan-4-one > 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-2-[[4-(4-methylphenyl)phenyl]methyl]-1,1-dioxo-3-propan-2-yl-1,2,5-thiadiazepan-4-one > 5-[[1-(furan-2-ylmethyl)-1,2,3-triazol-4-yl]methyl]-2-[[4-(4-methylphenyl)phenyl]methyl]-1,1-bis(oxidanylidene)-3-propan-2-yl-1,2,5-thiadiazepan-4-one > 5-[[1-(2-furfuryl)triazol-4-yl]methyl]-3-isopropyl-1,1-diketo-2-[4-(p-tolyl)benzyl]-1,2,5-thiadiazepan-4-one > InChI=1S/C29H33N5O4S/c1-21(2)28-29(35)32(18-26-19-33(31-30-26)20-27-5-4-15-38-27)14-16-39(36,37)34(28)17-23-8-12-25(13-9-23)24-10-6-22(3)7-11-24/h4-13,15,19,21,28H,14,16-18,20H2,1-3H3 > MJBQNSQAHLWSCB-UHFFFAOYSA-N > 3.7 > 547.22532572 > C29H33N5O4S > 547.7 > CC1=CC=C(C=C1)C2=CC=C(C=C2)CN3C(C(=O)N(CCS3(=O)=O)CC4=CN(N=N4)CC5=CC=CO5)C(C)C > CC1=CC=C(C=C1)C2=CC=C(C=C2)CN3C(C(=O)N(CCS3(=O)=O)CC4=CN(N=N4)CC5=CC=CO5)C(C)C > 110 > 547.22532572 > 0 > 39 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 12 3 20 22 8 20 23 8 21 24 8 22 25 8 23 26 8 25 27 8 26 27 8 28 31 8 28 32 8 30 36 8 31 33 8 32 34 8 33 35 8 34 35 8 36 37 8 37 39 8 5 30 8 5 39 8 8 10 8 8 21 8 9 10 8 9 24 8 $$$$