4-(6-cyano-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-2-methoxy-phenolate

Systemtic Name: 4-(6-cyano-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-2-methoxy-phenolate Openeye Name: 4-(6-cyano-4-oxo-2-thioxo-1H-pyrimidin-5-yl)-2-methoxy-phenolate CAS Name: 4-(6-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-methoxyphenolate IUPAC Name: 4-(6-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-methoxyphenolate Traditional Name: 4-(6-cyano-4-keto-2-thioxo-1H-pyrimidin-5-yl)-2-methoxy-phenolate Formula: C12H8N3O3S- MolecularWeight: 274.27522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(NC(=S)NC2=O)C#N)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(NC(=S)NC2=O)C#N)[O-]

InChI

InChI=1S/C12H9N3O3S/c1-18-9-4-6(2-3-8(9)16)10-7(5-13)14-12(19)15-11(10)17/h2-4,16H,1H3,(H2,14,15,17,19)/p-1