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

Systemtic Name: (5Z)-5-[[1-(3-nitrophenyl)pyrrol-3-yl]methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-allyl-5-[[1-(3-nitrophenyl)pyrrol-3-yl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-5-[[1-(3-nitrophenyl)-3-pyrrolyl]methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[[1-(3-nitrophenyl)pyrrol-3-yl]methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-1-allyl-6-keto-5-[[1-(3-nitrophenyl)pyrrol-3-yl]methylene]-2-thioxo-pyrimidin-4-olate Formula: C18H13N4O4S- MolecularWeight: 381.38522

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=NC1=S)[O-]

Isomeric SMILES

C=CCN1C(=O)/C(=C\C2=CN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])/C(=NC1=S)[O-]

InChI

InChI=1S/C18H14N4O4S/c1-2-7-21-17(24)15(16(23)19-18(21)27)9-12-6-8-20(11-12)13-4-3-5-14(10-13)22(25)26/h2-6,8-11H,1,7H2,(H,19,23,27)/p-1/b15-9-