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

Systemtic Name: 4-[(E)-[1-(2,3-dimethylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[(E)-[1-(2,3-dimethylphenyl)-5-oxo-2-thioxo-imidazolidin-4-ylidene]methyl]-2-nitro-phenolate CAS Name: 4-[(E)-[1-(2,3-dimethylphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinylidene]methyl]-2-nitrophenolate IUPAC Name: 4-[(E)-[1-(2,3-dimethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-nitrophenolate Traditional Name: 4-[(E)-[1-(2,3-dimethylphenyl)-5-keto-2-thioxo-imidazolidin-4-ylidene]methyl]-2-nitro-phenolate Formula: C18H14N3O4S- MolecularWeight: 368.38646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4S/c1-10-4-3-5-14(11(10)2)20-17(23)13(19-18(20)26)8-12-6-7-16(22)15(9-12)21(24)25/h3-9,22H,1-2H3,(H,19,26)/p-1/b13-8+