5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-piperidin-1-ylethyl)pentanamide

Systemtic Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-piperidin-1-ylethyl)pentanamide Openeye Name: 5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(1-piperidyl)ethyl]pentanamide CAS Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[2-(1-piperidinyl)ethyl]pentanamide IUPAC Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-piperidin-1-ylethyl)pentanamide Traditional Name: 5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(2-piperidinoethyl)valeramide Formula: C27H35N5OS MolecularWeight: 477.6647

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCCC(=O)NCCN4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCCC(=O)NCCN4CCCCC4

InChI

InChI=1S/C27H35N5OS/c1-22-13-15-23(16-14-22)26-29-30-27(32(26)24-10-4-2-5-11-24)34-21-9-6-12-25(33)28-17-20-31-18-7-3-8-19-31/h2,4-5,10-11,13-16H,3,6-9,12,17-21H2,1H3,(H,28,33)