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

Systemtic Name: 5-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-pentan-1-one Openeye Name: 5-[[5-benzyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)pentan-1-one CAS Name: 5-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)-1-pentanone IUPAC Name: 5-[[5-benzyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylpentan-1-one Traditional Name: 5-[[5-benzyl-4-(o-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=CC=C1N2C(=NN=C2SCCCCC(=O)N3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCCCC(=O)N3CCCCC3)CC4=CC=CC=C4

InChI

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