3-[5-methyl-3-[(3-methylphenyl)amino]-2-sulfanylidene-1H-imidazol-4-yl]benzoic acid

Systemtic Name: 3-[5-methyl-3-[(3-methylphenyl)amino]-2-sulfanylidene-1H-imidazol-4-yl]benzoic acid Openeye Name: 3-[5-methyl-3-(3-methylanilino)-2-thioxo-1H-imidazol-4-yl]benzoic acid CAS Name: 3-[5-methyl-3-(3-methylanilino)-2-sulfanylidene-1H-imidazol-4-yl]benzoic acid IUPAC Name: 3-[5-methyl-3-(3-methylanilino)-2-sulfanylidene-1H-imidazol-4-yl]benzoic acid Traditional Name: 3-[5-methyl-3-(m-toluidino)-2-thioxo-4-imidazolin-4-yl]benzoic acid Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NN2C(=C(NC2=S)C)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NN2C(=C(NC2=S)C)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C18H17N3O2S/c1-11-5-3-8-15(9-11)20-21-16(12(2)19-18(21)24)13-6-4-7-14(10-13)17(22)23/h3-10,20H,1-2H3,(H,19,24)(H,22,23)