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

Systemtic Name: 6-(3-chlorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile; piperidine Openeye Name: 6-(3-chlorophenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile; piperidine CAS Name: 6-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile; piperidine IUPAC Name: 6-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile; piperidine Traditional Name: 6-(3-chlorophenyl)-4-keto-2-thioxo-1H-pyrimidine-5-carbonitrile; piperidine Formula: C16H17ClN4OS MolecularWeight: 348.85038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H6ClN3OS.C5H11N/c12-7-3-1-2-6(4-7)9-8(5-13)10(16)15-11(17)14-9;1-2-4-6-5-3-1/h1-4H,(H2,14,15,16,17);6H,1-5H2