2-[3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-naphthalen-1-yl-ethanamide

Systemtic Name: 2-[3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]-N-(1-naphthyl)acetamide CAS Name: 2-[3-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]piperidino]-N-(1-naphthyl)acetamide Formula: C27H29N5OS MolecularWeight: 471.61706

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)CC(=O)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)CC(=O)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H29N5OS/c1-31-26(29-30-27(31)34-19-20-9-3-2-4-10-20)22-13-8-16-32(17-22)18-25(33)28-24-15-7-12-21-11-5-6-14-23(21)24/h2-7,9-12,14-15,22H,8,13,16-19H2,1H3,(H,28,33)