(5E)-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-6-keto-5-[4-(4-nitrobenzyl)oxybenzylidene]-2-thioxo-pyrimidin-4-olate Formula: C18H12N3O5S- MolecularWeight: 382.36998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=CC=C(C=C2)C=C3C(=O)NC(=S)N=C3[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC2=CC=C(C=C2)/C=C\3/C(=O)NC(=S)N=C3[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O5S/c22-16-15(17(23)20-18(27)19-16)9-11-3-7-14(8-4-11)26-10-12-1-5-13(6-2-12)21(24)25/h1-9H,10H2,(H2,19,20,22,23,27)/p-1