6-(3-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile; piperidine

Systemtic Name: 6-(3-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile; piperidine Openeye Name: 6-(3-nitrophenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile; piperidine CAS Name: 6-(3-nitrophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile; piperidine IUPAC Name: 6-(3-nitrophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile; piperidine Traditional Name: 4-keto-6-(3-nitrophenyl)-2-thioxo-1H-pyrimidine-5-carbonitrile; piperidine Formula: C16H17N5O3S MolecularWeight: 359.40288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNCC1.C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=O)NC(=S)N2)C#N

Isomeric SMILES

C1CCNCC1.C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=O)NC(=S)N2)C#N

InChI

InChI=1S/C11H6N4O3S.C5H11N/c12-5-8-9(13-11(19)14-10(8)16)6-2-1-3-7(4-6)15(17)18;1-2-4-6-5-3-1/h1-4H,(H2,13,14,16,19);6H,1-5H2