2-cyclopentyl-N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]ethanamide

Systemtic Name: 2-cyclopentyl-N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]ethanamide Openeye Name: N-[[4-benzyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-cyclopentyl-acetamide CAS Name: 2-cyclopentyl-N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]acetamide IUPAC Name: N-[[4-benzyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-cyclopentylacetamide Traditional Name: N-[[4-benzyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]-2-cyclopentyl-acetamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=NC=C4

Isomeric SMILES

C1CCC(C1)CC(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=NC=C4

InChI

InChI=1S/C23H27N5OS/c29-22(14-18-6-4-5-7-18)25-15-21-26-27-23(30-17-20-10-12-24-13-11-20)28(21)16-19-8-2-1-3-9-19/h1-3,8-13,18H,4-7,14-17H2,(H,25,29)