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

Systemtic Name: (5Z)-1-(4-methoxyphenyl)-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-(4-methoxyphenyl)-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-1-(4-methoxyphenyl)-5-[[1-(3-nitrophenyl)-2-pyrrolyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-1-(4-methoxyphenyl)-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-6-keto-1-(4-methoxyphenyl)-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylene]-2-thioxo-pyrimidin-4-olate Formula: C22H15N4O5S- MolecularWeight: 447.4433

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC(=CC=C4)[N+](=O)[O-])C(=NC2=S)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=CN3C4=CC(=CC=C4)[N+](=O)[O-])/C(=NC2=S)[O-]

InChI

InChI=1S/C22H16N4O5S/c1-31-18-9-7-14(8-10-18)25-21(28)19(20(27)23-22(25)32)13-16-6-3-11-24(16)15-4-2-5-17(12-15)26(29)30/h2-13H,1H3,(H,23,27,32)/p-1/b19-13-