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

Systemtic Name: 4-[(E)-[1-(2-ethylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[1-(2-ethylphenyl)-5-oxo-2-thioxo-imidazolidin-4-ylidene]methyl]benzoic acid CAS Name: 4-[(E)-[1-(2-ethylphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[1-(2-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[1-(2-ethylphenyl)-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:

CCC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)NC2=S

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)/C(=C\C3=CC=C(C=C3)C(=O)O)/NC2=S

InChI

InChI=1S/C19H16N2O3S/c1-2-13-5-3-4-6-16(13)21-17(22)15(20-19(21)25)11-12-7-9-14(10-8-12)18(23)24/h3-11H,2H2,1H3,(H,20,25)(H,23,24)/b15-11+