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

Systemtic Name: N-[[4-(2-methylpropyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1-phenyl-cyclohexane-1-carboxamide Openeye Name: N-[[4-isobutyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1-phenyl-cyclohexanecarboxamide CAS Name: N-[[4-(2-methylpropyl)-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]-1-phenyl-1-cyclohexanecarboxamide IUPAC Name: N-[[4-(2-methylpropyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1-phenylcyclohexane-1-carboxamide Traditional Name: N-[[4-isobutyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]-1-phenyl-cyclohexanecarboxamide Formula: C26H33N5OS MolecularWeight: 463.63812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=NC=C2)CNC(=O)C3(CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=NC=C2)CNC(=O)C3(CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H33N5OS/c1-20(2)18-31-23(29-30-25(31)33-19-21-11-15-27-16-12-21)17-28-24(32)26(13-7-4-8-14-26)22-9-5-3-6-10-22/h3,5-6,9-12,15-16,20H,4,7-8,13-14,17-19H2,1-2H3,(H,28,32)