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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C22H31ClN4OS MolecularWeight: 435.02574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H31ClN4OS/c1-2-3-4-8-15-27-21(17-11-13-18(23)14-12-17)25-26-22(27)29-16-20(28)24-19-9-6-5-7-10-19/h11-14,19H,2-10,15-16H2,1H3,(H,24,28)