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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylcyclohexyl)ethanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide CAS Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]thio]-N-(2,3-dimethylcyclohexyl)acetamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]thio]-N-(2,3-dimethylcyclohexyl)acetamide Formula: C26H39ClN4OS MolecularWeight: 491.13206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN=C1SCC(=O)NC2CCCC(C2C)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCN1C(=NN=C1SCC(=O)NC2CCCC(C2C)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H39ClN4OS/c1-4-5-6-7-8-9-17-31-25(21-13-15-22(27)16-14-21)29-30-26(31)33-18-24(32)28-23-12-10-11-19(2)20(23)3/h13-16,19-20,23H,4-12,17-18H2,1-3H3,(H,28,32)