5-cyano-6-(4-nitrophenyl)-2-sulfanylidene-1H-pyrimidin-4-olate

Systemtic Name: 5-cyano-6-(4-nitrophenyl)-2-sulfanylidene-1H-pyrimidin-4-olate Openeye Name: 5-cyano-6-(4-nitrophenyl)-2-thioxo-1H-pyrimidin-4-olate CAS Name: 5-cyano-6-(4-nitrophenyl)-2-sulfanylidene-1H-pyrimidin-4-olate IUPAC Name: 5-cyano-6-(4-nitrophenyl)-2-sulfanylidene-1H-pyrimidin-4-olate Traditional Name: 5-cyano-6-(4-nitrophenyl)-2-thioxo-1H-pyrimidin-4-olate Formula: C11H5N4O3S- MolecularWeight: 273.2474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=NC(=S)N2)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=NC(=S)N2)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C11H6N4O3S/c12-5-8-9(13-11(19)14-10(8)16)6-1-3-7(4-2-6)15(17)18/h1-4H,(H2,13,14,16,19)/p-1