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

Systemtic Name: 6-(4-cyanophenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile; piperidine Openeye Name: 6-(4-cyanophenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile; piperidine CAS Name: 6-(4-cyanophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile; piperidine IUPAC Name: 6-(4-cyanophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile; piperidine Traditional Name: 6-(4-cyanophenyl)-4-keto-2-thioxo-1H-pyrimidine-5-carbonitrile; piperidine Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNCC1.C1=CC(=CC=C1C#N)C2=C(C(=O)NC(=S)N2)C#N

Isomeric SMILES

C1CCNCC1.C1=CC(=CC=C1C#N)C2=C(C(=O)NC(=S)N2)C#N

InChI

InChI=1S/C12H6N4OS.C5H11N/c13-5-7-1-3-8(4-2-7)10-9(6-14)11(17)16-12(18)15-10;1-2-4-6-5-3-1/h1-4H,(H2,15,16,17,18);6H,1-5H2