2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]carbonylbenzoic acid Openeye Name: 2-(2-isobutylsulfanylbenzimidazole-1-carbonyl)benzoic acid CAS Name: 2-[[2-(2-methylpropylthio)-1-benzimidazolyl]-oxomethyl]benzoic acid IUPAC Name: 2-[2-(2-methylpropylsulfanyl)benzimidazole-1-carbonyl]benzoic acid Traditional Name: 2-[2-(isobutylthio)benzimidazole-1-carbonyl]benzoic acid Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)CSC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H18N2O3S/c1-12(2)11-25-19-20-15-9-5-6-10-16(15)21(19)17(22)13-7-3-4-8-14(13)18(23)24/h3-10,12H,11H2,1-2H3,(H,23,24)