1-(4-methylphenyl)carbonyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)piperidine-3-carboxamide

Systemtic Name: 1-(4-methylphenyl)carbonyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)piperidine-3-carboxamide Openeye Name: 1-(4-methylbenzoyl)-N-(5-thioxo-1H-1,2,4-triazol-4-yl)piperidine-3-carboxamide CAS Name: 1-[(4-methylphenyl)-oxomethyl]-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)-3-piperidinecarboxamide IUPAC Name: 1-(4-methylbenzoyl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)piperidine-3-carboxamide Traditional Name: 1-p-toluoyl-N-(5-thioxo-1H-1,2,4-triazol-4-yl)nipecotamide Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NN3C=NNC3=S

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NN3C=NNC3=S

InChI

InChI=1S/C16H19N5O2S/c1-11-4-6-12(7-5-11)15(23)20-8-2-3-13(9-20)14(22)19-21-10-17-18-16(21)24/h4-7,10,13H,2-3,8-9H2,1H3,(H,18,24)(H,19,22)