4-[(E)-[1-(3,5-dimethylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[1-(3,5-dimethylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[1-(3,5-dimethylphenyl)-5-oxo-2-thioxo-imidazolidin-4-ylidene]methyl]benzoic acid CAS Name: 4-[(E)-[1-(3,5-dimethylphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[1-(3,5-dimethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[1-(3,5-dimethylphenyl)-5-keto-2-thioxo-imidazolidin-4-ylidene]methyl]benzoic acid Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)NC2=S)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)C(=O)O)/NC2=S)C

InChI

InChI=1S/C19H16N2O3S/c1-11-7-12(2)9-15(8-11)21-17(22)16(20-19(21)25)10-13-3-5-14(6-4-13)18(23)24/h3-10H,1-2H3,(H,20,25)(H,23,24)/b16-10+