4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)benzoic acid

Systemtic Name: 4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)benzoic acid Openeye Name: 4-(5-phenyl-2-thioxo-1H-imidazol-3-yl)benzoic acid CAS Name: 4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)benzoic acid IUPAC Name: 4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)benzoic acid Traditional Name: 4-(4-phenyl-2-thioxo-4-imidazolin-1-yl)benzoic acid Formula: C16H12N2O2S MolecularWeight: 296.34368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C(=S)N2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C(=S)N2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H12N2O2S/c19-15(20)12-6-8-13(9-7-12)18-10-14(17-16(18)21)11-4-2-1-3-5-11/h1-10H,(H,17,21)(H,19,20)