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

Systemtic Name: N-hexyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-hexyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-hexyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-hexyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-hexyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H22N4OS MolecularWeight: 318.43708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCNC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C16H22N4OS/c1-2-3-4-8-11-17-14(21)12-22-16-18-15(19-20-16)13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3,(H,17,21)(H,18,19,20)