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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3Cl

Isomeric SMILES

CCCCCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3Cl

InChI

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