4-(4-oxidanylidene-3-phenyl-2-sulfanylidene-imidazolidin-1-yl)benzoic acid

Systemtic Name: 4-(4-oxidanylidene-3-phenyl-2-sulfanylidene-imidazolidin-1-yl)benzoic acid Openeye Name: 4-(4-oxo-3-phenyl-2-thioxo-imidazolidin-1-yl)benzoic acid CAS Name: 4-(4-oxo-3-phenyl-2-sulfanylidene-1-imidazolidinyl)benzoic acid IUPAC Name: 4-(4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)benzoic acid Traditional Name: 4-(4-keto-3-phenyl-2-thioxo-imidazolidin-1-yl)benzoic acid Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=S)N1C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1C(=O)N(C(=S)N1C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H12N2O3S/c19-14-10-17(12-8-6-11(7-9-12)15(20)21)16(22)18(14)13-4-2-1-3-5-13/h1-9H,10H2,(H,20,21)