(5E)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-6-keto-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-thioxo-pyrimidin-4-olate Formula: C13H8N3O4S- MolecularWeight: 302.28532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC=C2C(=O)NC(=S)N=C2[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C=C\2/C(=O)NC(=S)N=C2[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O4S/c17-11-9(12(18)15-13(21)14-11)6-3-5-8-4-1-2-7-10(8)16(19)20/h1-7H,(H2,14,15,17,18,21)/p-1/b5-3+