4-[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N-(phenylmethyl)piperidine-1-carboxamide

Systemtic Name: 4-[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N-(phenylmethyl)piperidine-1-carboxamide Openeye Name: N-benzyl-4-[4-methyl-5-(3-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide CAS Name: 4-[4-methyl-5-(3-pyridinylmethylthio)-1,2,4-triazol-3-yl]-N-(phenylmethyl)-1-piperidinecarboxamide IUPAC Name: N-benzyl-4-[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide Traditional Name: N-benzyl-4-[4-methyl-5-(3-pyridylmethylthio)-1,2,4-triazol-3-yl]piperidine-1-carboxamide Formula: C22H26N6OS MolecularWeight: 422.54644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CN=CC=C2)C3CCN(CC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CN=CC=C2)C3CCN(CC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H26N6OS/c1-27-20(25-26-22(27)30-16-18-8-5-11-23-14-18)19-9-12-28(13-10-19)21(29)24-15-17-6-3-2-4-7-17/h2-8,11,14,19H,9-10,12-13,15-16H2,1H3,(H,24,29)