(5E)-1-(4-chlorophenyl)-5-[(3-methoxy-5-nitro-4-oxidanidyl-phenyl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-1-(4-chlorophenyl)-5-[(3-methoxy-5-nitro-4-oxidanidyl-phenyl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-(4-chlorophenyl)-5-[(3-methoxy-5-nitro-4-oxido-phenyl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-(4-chlorophenyl)-5-[(3-methoxy-5-nitro-4-oxidophenyl)methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-(4-chlorophenyl)-5-[(3-methoxy-5-nitro-4-oxidophenyl)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-(4-chlorophenyl)-6-keto-5-(3-methoxy-5-nitro-4-oxido-benzylidene)-2-thioxo-pyrimidin-4-olate Formula: C18H10ClN3O6S-2 MolecularWeight: 431.8065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2C(=NC(=S)N(C2=O)C3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/2\C(=NC(=S)N(C2=O)C3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C18H12ClN3O6S/c1-28-14-8-9(7-13(15(14)23)22(26)27)6-12-16(24)20-18(29)21(17(12)25)11-4-2-10(19)3-5-11/h2-8,23H,1H3,(H,20,24,29)/p-2/b12-6+