N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]cyclopentanecarboxamide

Systemtic Name: N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]cyclopentanecarboxamide Openeye Name: N-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]cyclopentanecarboxamide CAS Name: N-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]cyclopentanecarboxamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopentanecarboxamide Traditional Name: N-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]cyclopentanecarboxamide Formula: C23H26N4OS MolecularWeight: 406.54374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)C4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)C4CCCC4

InChI

InChI=1S/C23H26N4OS/c1-17-11-13-20(14-12-17)27-21(15-24-22(28)19-9-5-6-10-19)25-26-23(27)29-16-18-7-3-2-4-8-18/h2-4,7-8,11-14,19H,5-6,9-10,15-16H2,1H3,(H,24,28)