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

Systemtic Name: (5E)-1-methyl-5-[(3-nitro-4-oxidanidyl-phenyl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-methyl-5-[(3-nitro-4-oxido-phenyl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-methyl-5-[(3-nitro-4-oxidophenyl)methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-methyl-5-[(3-nitro-4-oxidophenyl)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-6-keto-1-methyl-5-(3-nitro-4-oxido-benzylidene)-2-thioxo-pyrimidin-4-olate Formula: C12H7N3O5S-2 MolecularWeight: 305.26608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=NC1=S)[O-]

Isomeric SMILES

CN1C(=O)/C(=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/C(=NC1=S)[O-]

InChI

InChI=1S/C12H9N3O5S/c1-14-11(18)7(10(17)13-12(14)21)4-6-2-3-9(16)8(5-6)15(19)20/h2-5,16H,1H3,(H,13,17,21)/p-2/b7-4+