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

Systemtic Name: (5Z)-5-[[1-(4-methoxy-2-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-allyl-5-[[1-(4-methoxy-2-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-5-[[1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[[1-(4-methoxy-2-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-1-allyl-6-keto-5-[[1-(4-methoxy-2-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-pyrimidin-4-olate Formula: C21H19N4O5S- MolecularWeight: 439.46436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O5S/c1-5-8-23-20(27)16(19(26)22-21(23)31)10-14-9-12(2)24(13(14)3)17-7-6-15(30-4)11-18(17)25(28)29/h5-7,9-11H,1,8H2,2-4H3,(H,22,26,31)/p-1/b16-10-