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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide CAS Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]-2-phenylacetamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]-2-phenyl-acetamide Formula: C22H25ClN4OS MolecularWeight: 428.9781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN4OS/c1-2-3-4-8-15-27-21(17-11-13-18(23)14-12-17)25-26-22(27)29-19(20(24)28)16-9-6-5-7-10-16/h5-7,9-14,19H,2-4,8,15H2,1H3,(H2,24,28)