4-(2-(5-bromo-4-(2-chloro-4-cyclopropyl-6-methylphenyl)-4H-1,2,4-triazol-3-ylthio)acetamido)-3-chlorobenzoic acid

HCID 16221815

ノート反応

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基本情報

標準SMILES: Cc1cc(C2CC2)cc(Cl)c1-n1c(Br)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1Cl
InChIKey: BOKRFMXGMBWROD-UHFFFAOYSA-N
分子式: C21H17BrCl2N4O3S
平均分子量: 556.3 g/mol
単同位体質量: 553.95818

名称と識別子

優先名称: 4-(2-(5-bromo-4-(2-chloro-4-cyclopropyl-6-methylphenyl)-4H-1,2,4-triazol-3-ylthio)acetamido)-3-chlorobenzoic acid
IUPAC: 4-[[2-[[5-bromo-4-(2-chloro-4-cyclopropyl-6-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-chlorobenzoic acid

名称と別名

SCHEMBL249510BOKRFMXGMBWROD-UHFFFAOYSA-N4-(2-(5-bromo-4-(2-chloro-4-cyclopropyl-6-methylphenyl)-4H-1,2,4-triazol-3-ylthio)acetamido)-3-chlorobenzoic acid4-[[2-[[5-bromo-4-(2-chloro-4-cyclopropyl-6-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-chloro-benzoic acidBenzoic acid, 4-[[[[5-bromo-4-(2-methyl-4-cyclopropyl-6-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-chloro-