N-[[4-(2-methylpropyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide

Systemtic Name: N-[[4-(2-methylpropyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide Openeye Name: N-[[4-isobutyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide CAS Name: N-[[4-(2-methylpropyl)-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide IUPAC Name: N-[[4-(2-methylpropyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide Traditional Name: N-[[4-isobutyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide Formula: C20H29N5OS MolecularWeight: 387.54216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=NC=C2)CNC(=O)C3CCCCC3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=NC=C2)CNC(=O)C3CCCCC3

InChI

InChI=1S/C20H29N5OS/c1-15(2)13-25-18(12-22-19(26)17-6-4-3-5-7-17)23-24-20(25)27-14-16-8-10-21-11-9-16/h8-11,15,17H,3-7,12-14H2,1-2H3,(H,22,26)