4-(4-methyl-2-methylsulfanyl-5-oxidanylidene-1-phenylazanyl-imidazol-4-yl)benzoic acid

Systemtic Name: 4-(4-methyl-2-methylsulfanyl-5-oxidanylidene-1-phenylazanyl-imidazol-4-yl)benzoic acid Openeye Name: 4-(1-anilino-4-methyl-2-methylsulfanyl-5-oxo-imidazol-4-yl)benzoic acid CAS Name: 4-[1-anilino-4-methyl-2-(methylthio)-5-oxo-4-imidazolyl]benzoic acid IUPAC Name: 4-(1-anilino-4-methyl-2-methylsulfanyl-5-oxoimidazol-4-yl)benzoic acid Traditional Name: 4-[1-anilino-5-keto-4-methyl-2-(methylthio)-2-imidazolin-4-yl]benzoic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H17N3O3S/c1-18(13-10-8-12(9-11-13)15(22)23)16(24)21(17(19-18)25-2)20-14-6-4-3-5-7-14/h3-11,20H,1-2H3,(H,22,23)