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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-ethanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-acetamide CAS Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]thio]-N-cyclopentyl-acetamide Formula: C23H33ClN4OS MolecularWeight: 449.05232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN=C1SCC(=O)NC2CCCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCN1C(=NN=C1SCC(=O)NC2CCCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H33ClN4OS/c1-2-3-4-5-6-9-16-28-22(18-12-14-19(24)15-13-18)26-27-23(28)30-17-21(29)25-20-10-7-8-11-20/h12-15,20H,2-11,16-17H2,1H3,(H,25,29)