2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C24H35ClN4OS MolecularWeight: 463.0789

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H35ClN4OS/c1-2-3-4-5-6-10-17-29-23(19-13-15-20(25)16-14-19)27-28-24(29)31-18-22(30)26-21-11-8-7-9-12-21/h13-16,21H,2-12,17-18H2,1H3,(H,26,30)