1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-N-pyridin-2-yl-piperidine-4-carboxamide

Systemtic Name: 1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-N-pyridin-2-yl-piperidine-4-carboxamide Openeye Name: 1-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-N-(2-pyridyl)piperidine-4-carboxamide CAS Name: 1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-N-(2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: 1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide Traditional Name: 1-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-N-(2-pyridyl)isonipecotamide Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCC(CC3)C(=O)NC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCC(CC3)C(=O)NC4=CC=CC=N4

InChI

InChI=1S/C21H24N6OS/c1-15-5-7-16(8-6-15)19-24-21(29)27(25-19)14-26-12-9-17(10-13-26)20(28)23-18-4-2-3-11-22-18/h2-8,11,17H,9-10,12-14H2,1H3,(H,22,23,28)(H,24,25,29)