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

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-hexyl-ethanamide Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-hexyl-acetamide CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-hexylacetamide IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-hexylacetamide Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-hexyl-acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4OS/c1-2-3-4-11-16-23-20(27)17-28-22-25-24-21(18-12-7-5-8-13-18)26(22)19-14-9-6-10-15-19/h5-10,12-15H,2-4,11,16-17H2,1H3,(H,23,27)