(5E)-1-(3-methylphenyl)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-1-(3-methylphenyl)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-(m-tolyl)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-(3-methylphenyl)-5-[[1-(4-nitrophenyl)-2-pyrrolyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-(3-methylphenyl)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-6-keto-1-(m-tolyl)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylene]-2-thioxo-pyrimidin-4-olate Formula: C22H15N4O4S- MolecularWeight: 431.4439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)[N+](=O)[O-])C(=NC2=S)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CC=CN3C4=CC=C(C=C4)[N+](=O)[O-])/C(=NC2=S)[O-]

InChI

InChI=1S/C22H16N4O4S/c1-14-4-2-5-18(12-14)25-21(28)19(20(27)23-22(25)31)13-17-6-3-11-24(17)15-7-9-16(10-8-15)26(29)30/h2-13H,1H3,(H,23,27,31)/p-1/b19-13+