2984337 -OEChem-04232421332D 61 66 0 0 0 0 0 0 0999 V2000 5.5161 0.7494 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 -2.2506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 -2.2506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1294 1.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 -2.2506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3251 2.3372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7071 2.3372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0161 3.2883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7795 5.7153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 -4.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -3.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -3.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -2.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -2.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 -5.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 0.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5601 -4.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 -4.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -5.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9021 -5.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5681 -5.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 1.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0161 3.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2762 2.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6039 4.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0193 2.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4841 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9704 2.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4352 0.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1783 1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5984 3.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1972 5.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1862 4.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7849 5.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8725 1.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 -0.6680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1735 -1.3582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8621 -1.3332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2607 -0.6429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 0.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0395 0.1418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0934 -3.9412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 -3.9412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6587 -6.4398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9045 -6.4398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1062 -5.6070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -5.6070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8904 3.3038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0233 0.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4311 2.8032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5640 0.1346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8506 3.4264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5806 5.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8028 4.7370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5328 6.3862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2874 1.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3332 2.1851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4576 2.2310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 25 1 0 0 0 0 2 15 2 0 0 0 0 3 16 2 0 0 0 0 4 33 1 0 0 0 0 4 38 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 25 2 0 0 0 0 8 26 2 0 0 0 0 9 36 2 0 0 0 0 9 37 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 17 2 0 0 0 0 11 14 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 15 1 0 0 0 0 12 19 2 0 0 0 0 13 16 1 0 0 0 0 13 20 2 0 0 0 0 14 18 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 23 1 0 0 0 0 19 45 1 0 0 0 0 20 24 1 0 0 0 0 20 46 1 0 0 0 0 21 23 2 0 0 0 0 21 47 1 0 0 0 0 22 24 2 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 34 2 0 0 0 0 28 35 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 31 33 2 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 34 36 1 0 0 0 0 34 55 1 0 0 0 0 35 37 2 0 0 0 0 35 56 1 0 0 0 0 36 57 1 0 0 0 0 37 58 1 0 0 0 0 38 59 1 0 0 0 0 38 60 1 0 0 0 0 38 61 1 0 0 0 0 M END > 2984337 > 1 > 803 > 7 > 0 > 8 > AAADceB7sABAAAAAAAAAAAAAAAAAAWAAAAA8eMECAAAAAADx9AAAHgQIAAAADAzF2wa/1tcMFAiqAjd3dACS2Ct1IrAd2CE+bNiMLvLkvZuEMShkzjPI6ae4y8COgEACAAAQAAAAgAQAACAAAAAAAAAAAA== > 2-[3-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione > 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propyl]benzo[de]isoquinoline-1,3-dione > 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione > 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione > 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione > 2-[3-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propyl]benzo[de]isoquinoline-1,3-quinone > InChI=1S/C29H23N5O3S/c1-37-22-11-9-21(10-12-22)34-26(20-13-15-30-16-14-20)31-32-29(34)38-18-4-17-33-27(35)23-7-2-5-19-6-3-8-24(25(19)23)28(33)36/h2-3,5-16H,4,17-18H2,1H3 > RNUXIZKXJOGYQP-UHFFFAOYSA-N > 4.8 > 521.15216079 > C29H23N5O3S > 521.6 > COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6 > COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6 > 116 > 521.15216079 > 0 > 38 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 8 10 13 8 10 17 8 12 19 8 13 20 8 17 21 8 17 22 8 19 23 8 20 24 8 21 23 8 22 24 8 27 29 8 27 30 8 28 34 8 28 35 8 29 31 8 30 32 8 31 33 8 32 33 8 34 36 8 35 37 8 6 25 8 6 26 8 7 25 8 7 8 8 8 26 8 9 36 8 9 37 8 $$$$