53240117 -OEChem-04202400112D 66 69 0 1 0 0 0 0 0999 V2000 3.5749 -0.6814 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -0.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 -1.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5743 0.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6466 5.5017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 -1.1152 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9758 1.0754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3927 4.3557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8469 2.8325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5664 3.7924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3768 -0.6814 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3524 0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9758 1.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5993 0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 -2.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1586 -1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4097 1.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 -2.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8464 2.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 -3.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 -2.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1837 3.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 -4.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0739 -2.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0739 -3.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4226 5.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 -4.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5719 5.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 -5.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -5.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4972 6.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -6.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5257 7.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6720 -7.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3074 -1.2975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9658 0.7783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7938 0.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 1.6799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4172 1.3444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8653 -2.0076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2638 -2.6978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7721 -1.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6434 -1.6914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5452 -0.8201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9131 1.6144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8536 2.4093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8049 -3.9252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 -1.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7789 3.9179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 -4.7352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6109 -2.3052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0297 5.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 5.9313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4769 -3.8052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 -5.4252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4166 -5.7229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0180 -5.0326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9701 7.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1954 -6.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5939 -7.1978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2906 7.6889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3817 6.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3620 -7.6522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2089 -7.4252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9820 -6.5783 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 34 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 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 15 18 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 19 1 0 0 0 0 17 46 1 0 0 0 0 17 47 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 48 1 0 0 0 0 21 24 2 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 29 2 3 0 0 0 27 55 1 0 0 0 0 28 31 2 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 32 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 33 1 0 0 0 0 31 59 1 0 0 0 0 32 35 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 34 2 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 M END > 53240117 > 1 > 824 > 7 > 0 > 9 > AAADceB7uABAAAAAAAAAAAAAAAAAAWJAAAAwAAAABYAAAAAB8AAAHgQIQAAADCzl3ga+hJMIBEKqA7131HDCDAQ1sgAY2AG+fMgOZjLE9TuXOSjkxhHYqYeYkQIOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 5-[[1-(2-furylmethyl)triazol-4-yl]methyl]-3-methyl-1,1-dioxo-2-[(4-pent-1-enylphenyl)methyl]-1,2,5-thiadiazepan-4-one > 5-[[1-(2-furanylmethyl)-4-triazolyl]methyl]-3-methyl-1,1-dioxo-2-[(4-pent-1-enylphenyl)methyl]-1,2,5-thiadiazepan-4-one > 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-3-methyl-1,1-dioxo-2-[(4-pent-1-enylphenyl)methyl]-1,2,5-thiadiazepan-4-one > 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-3-methyl-1,1-dioxo-2-[(4-pent-1-enylphenyl)methyl]-1,2,5-thiadiazepan-4-one > 5-[[1-(furan-2-ylmethyl)-1,2,3-triazol-4-yl]methyl]-3-methyl-1,1-bis(oxidanylidene)-2-[(4-pent-1-enylphenyl)methyl]-1,2,5-thiadiazepan-4-one > 5-[[1-(2-furfuryl)triazol-4-yl]methyl]-1,1-diketo-3-methyl-2-(4-pent-1-enylbenzyl)-1,2,5-thiadiazepan-4-one > InChI=1S/C25H31N5O4S/c1-3-4-5-7-21-9-11-22(12-10-21)16-30-20(2)25(31)28(13-15-35(30,32)33)17-23-18-29(27-26-23)19-24-8-6-14-34-24/h5-12,14,18,20H,3-4,13,15-17,19H2,1-2H3 > PGXUJKBSFTVXKZ-UHFFFAOYSA-N > 2.7 > 497.20967566 > C25H31N5O4S > 497.6 > CCCC=CC1=CC=C(C=C1)CN2C(C(=O)N(CCS2(=O)=O)CC3=CN(N=N3)CC4=CC=CO4)C > CCCC=CC1=CC=C(C=C1)CN2C(C(=O)N(CCS2(=O)=O)CC3=CN(N=N3)CC4=CC=CO4)C > 110 > 497.20967566 > 0 > 35 > 0 > 1 > 0 > 1 > 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 1 28 31 8 31 33 8 33 34 8 5 28 8 5 34 8 8 10 8 8 22 8 9 10 8 9 19 8 $$$$