N-(2-methylpropyl)-1-[1-(2-pyridin-2-ylsulfanylethanoyl)piperidin-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2-methylpropyl)-1-[1-(2-pyridin-2-ylsulfanylethanoyl)piperidin-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-isobutyl-1-[1-[2-(2-pyridylsulfanyl)acetyl]-4-piperidyl]triazole-4-carboxamide CAS Name: N-(2-methylpropyl)-1-[1-[1-oxo-2-(2-pyridinylthio)ethyl]-4-piperidinyl]-4-triazolecarboxamide IUPAC Name: N-(2-methylpropyl)-1-[1-(2-pyridin-2-ylsulfanylacetyl)piperidin-4-yl]triazole-4-carboxamide Traditional Name: N-isobutyl-1-[1-[2-(2-pyridylthio)acetyl]-4-piperidyl]triazole-4-carboxamide Formula: C19H26N6O2S MolecularWeight: 402.51374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(N=N1)C2CCN(CC2)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

CC(C)CNC(=O)C1=CN(N=N1)C2CCN(CC2)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C19H26N6O2S/c1-14(2)11-21-19(27)16-12-25(23-22-16)15-6-9-24(10-7-15)18(26)13-28-17-5-3-4-8-20-17/h3-5,8,12,14-15H,6-7,9-11,13H2,1-2H3,(H,21,27)