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

Systemtic Name: (5E)-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[[2,5-dimethyl-1-(4-nitrophenyl)-3-pyrrolyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C17H13N4O4S- MolecularWeight: 369.37452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C=C3C(=O)NC(=S)N=C3[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)/C=C\3/C(=O)NC(=S)N=C3[O-]

InChI

InChI=1S/C17H14N4O4S/c1-9-7-11(8-14-15(22)18-17(26)19-16(14)23)10(2)20(9)12-3-5-13(6-4-12)21(24)25/h3-8H,1-2H3,(H2,18,19,22,23,26)/p-1