4-[(E)-[1-(3-ethylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]benzoate

Systemtic Name: 4-[(E)-[1-(3-ethylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]benzoate Openeye Name: 4-[(E)-[1-(3-ethylphenyl)-5-oxo-2-thioxo-imidazolidin-4-ylidene]methyl]benzoate CAS Name: 4-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinylidene]methyl]benzoate IUPAC Name: 4-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]benzoate Traditional Name: 4-[(E)-[1-(3-ethylphenyl)-5-keto-2-thioxo-imidazolidin-4-ylidene]methyl]benzoate Formula: C19H15N2O3S- MolecularWeight: 351.399

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)[O-])NC2=S

Isomeric SMILES

CCC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)C(=O)[O-])/NC2=S

InChI

InChI=1S/C19H16N2O3S/c1-2-12-4-3-5-15(10-12)21-17(22)16(20-19(21)25)11-13-6-8-14(9-7-13)18(23)24/h3-11H,2H2,1H3,(H,20,25)(H,23,24)/p-1/b16-11+