2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-3H-benzimidazole-5-carboxylic acid Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C17H15N3O3S/c1-10-2-5-12(6-3-10)18-15(21)9-24-17-19-13-7-4-11(16(22)23)8-14(13)20-17/h2-8H,9H2,1H3,(H,18,21)(H,19,20)(H,22,23)