5-[[4-(4-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-pentan-1-one

Systemtic Name: 5-[[4-(4-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-pentan-1-one Openeye Name: 5-[[5-benzyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)pentan-1-one CAS Name: 5-[[4-(4-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)-1-pentanone IUPAC Name: 5-[[5-benzyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylpentan-1-one Traditional Name: 5-[[5-benzyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-pentan-1-one Formula: C26H32N4OS MolecularWeight: 448.62348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)N3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)N3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4OS/c1-21-13-15-23(16-14-21)30-24(20-22-10-4-2-5-11-22)27-28-26(30)32-19-9-6-12-25(31)29-17-7-3-8-18-29/h2,4-5,10-11,13-16H,3,6-9,12,17-20H2,1H3