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

Systemtic Name: 3-[3-[(3-chlorophenyl)amino]-5-methyl-2-sulfanylidene-1H-imidazol-4-yl]benzoic acid Openeye Name: 3-[3-(3-chloroanilino)-5-methyl-2-thioxo-1H-imidazol-4-yl]benzoic acid CAS Name: 3-[3-(3-chloroanilino)-5-methyl-2-sulfanylidene-1H-imidazol-4-yl]benzoic acid IUPAC Name: 3-[3-(3-chloroanilino)-5-methyl-2-sulfanylidene-1H-imidazol-4-yl]benzoic acid Traditional Name: 3-[3-(3-chloroanilino)-5-methyl-2-thioxo-4-imidazolin-4-yl]benzoic acid Formula: C17H14ClN3O2S MolecularWeight: 359.82996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O2S/c1-10-15(11-4-2-5-12(8-11)16(22)23)21(17(24)19-10)20-14-7-3-6-13(18)9-14/h2-9,20H,1H3,(H,19,24)(H,22,23)