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

Systemtic Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-ethanamide Openeye Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-acetamide CAS Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-hexylacetamide IUPAC Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexylacetamide Traditional Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-hexyl-acetamide Formula: C22H25FN4OS MolecularWeight: 412.523503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4OS/c1-2-3-4-8-15-24-20(28)16-29-22-26-25-21(17-11-13-18(23)14-12-17)27(22)19-9-6-5-7-10-19/h5-7,9-14H,2-4,8,15-16H2,1H3,(H,24,28)