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

Systemtic Name: 4-[(E)-[1-(2-methylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[1-(o-tolyl)-5-oxo-2-thioxo-imidazolidin-4-ylidene]methyl]benzoic acid CAS Name: 4-[(E)-[1-(2-methylphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[5-keto-1-(o-tolyl)-2-thioxo-imidazolidin-4-ylidene]methyl]benzoic acid Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)NC2=S

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)/C(=C\C3=CC=C(C=C3)C(=O)O)/NC2=S

InChI

InChI=1S/C18H14N2O3S/c1-11-4-2-3-5-15(11)20-16(21)14(19-18(20)24)10-12-6-8-13(9-7-12)17(22)23/h2-10H,1H3,(H,19,24)(H,22,23)/b14-10+