20853682 -OEChem-03282405242D 45 47 0 0 0 0 0 0 0999 V2000 6.3301 -5.6555 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9085 4.5329 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1506 2.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 0.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7329 2.9149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 0.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 -0.5677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 -0.8768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 1.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 -0.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1452 2.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3262 3.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9140 4.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3317 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5072 5.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9249 4.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5127 5.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9826 0.7463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0659 1.5390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.3455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3495 2.8501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.8455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 -0.4619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3531 -1.4832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -5.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9672 3.4314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.2755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8717 6.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 4.9113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2606 6.2219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 18 1 0 0 0 0 3 29 1 0 0 0 0 4 15 2 0 0 0 0 5 16 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 32 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 19 23 1 0 0 0 0 19 24 2 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 25 2 0 0 0 0 21 37 1 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 38 1 0 0 0 0 25 39 1 0 0 0 0 26 28 1 0 0 0 0 26 40 1 0 0 0 0 27 28 2 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 M END > 20853682 > 1 > 588 > 7 > 3 > 6 > AAADceB7sQAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwIYAAAACA7Bli4z9pLIBACqASdydACCDAcntwAc2AGvfsiOZirF87uVMKh01BPY6EeQQAAAACAAAAIAEAAAQAAABAAgAAAAAAAAAA== > 5-amino-N-(5-chloro-2-methoxy-phenyl)-1-[2-(2-fluoroanilino)-2-oxo-ethyl]triazole-4-carboxamide > 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[2-(2-fluoroanilino)-2-oxoethyl]-4-triazolecarboxamide > 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[2-(2-fluoroanilino)-2-oxoethyl]triazole-4-carboxamide > 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[2-(2-fluoroanilino)-2-oxoethyl]triazole-4-carboxamide > 5-azanyl-N-(5-chloranyl-2-methoxy-phenyl)-1-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4-carboxamide > 5-amino-N-(5-chloro-2-methoxy-phenyl)-1-[2-(2-fluoroanilino)-2-keto-ethyl]triazole-4-carboxamide > InChI=1S/C18H16ClFN6O3/c1-29-14-7-6-10(19)8-13(14)23-18(28)16-17(21)26(25-24-16)9-15(27)22-12-5-3-2-4-11(12)20/h2-8H,9,21H2,1H3,(H,22,27)(H,23,28) > HOXLBFIIDGSPGC-UHFFFAOYSA-N > 2.8 > 418.0956442 > C18H16ClFN6O3 > 418.8 > COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC=CC=C3F)N > COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC=CC=C3F)N > 124 > 418.0956442 > 0 > 29 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 8 13 14 8 17 18 8 17 20 8 18 21 8 19 23 8 19 24 8 20 22 8 21 25 8 22 25 8 23 26 8 24 27 8 26 28 8 27 28 8 6 13 8 6 9 8 9 10 8 $$$$