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

Systemtic Name: (5Z)-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-allyl-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-5-[[2,5-dimethyl-1-(4-nitrophenyl)-3-pyrrolyl]methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-1-allyl-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C20H17N4O4S- MolecularWeight: 409.43838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O4S/c1-4-9-22-19(26)17(18(25)21-20(22)29)11-14-10-12(2)23(13(14)3)15-5-7-16(8-6-15)24(27)28/h4-8,10-11H,1,9H2,2-3H3,(H,21,25,29)/p-1/b17-11-