4-[(E)-[1-(3-methylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-[1-(3-methylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[(E)-[1-(m-tolyl)-5-oxo-2-thioxo-imidazolidin-4-ylidene]methyl]-2-nitro-phenolate CAS Name: 4-[(E)-[1-(3-methylphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinylidene]methyl]-2-nitrophenolate IUPAC Name: 4-[(E)-[1-(3-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-nitrophenolate Traditional Name: 4-[(E)-[5-keto-1-(m-tolyl)-2-thioxo-imidazolidin-4-ylidene]methyl]-2-nitro-phenolate Formula: C17H12N3O4S- MolecularWeight: 354.35988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-])NC2=S

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)[O-])[N+](=O)[O-])/NC2=S

InChI

InChI=1S/C17H13N3O4S/c1-10-3-2-4-12(7-10)19-16(22)13(18-17(19)25)8-11-5-6-15(21)14(9-11)20(23)24/h2-9,21H,1H3,(H,18,25)/p-1/b13-8+