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

Systemtic Name: (5E)-1-(4-methylphenyl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[[5-(3-nitrophenyl)-2-furyl]methylene]-6-oxo-1-(p-tolyl)-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-(4-methylphenyl)-5-[[5-(3-nitrophenyl)-2-furanyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-(4-methylphenyl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-6-keto-5-[[5-(3-nitrophenyl)-2-furyl]methylene]-1-(p-tolyl)-2-thioxo-pyrimidin-4-olate Formula: C22H14N3O5S- MolecularWeight: 432.42866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])C(=NC2=S)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])/C(=NC2=S)[O-]

InChI

InChI=1S/C22H15N3O5S/c1-13-5-7-15(8-6-13)24-21(27)18(20(26)23-22(24)31)12-17-9-10-19(30-17)14-3-2-4-16(11-14)25(28)29/h2-12H,1H3,(H,23,26,31)/p-1/b18-12+