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

Systemtic Name: N-[(2S)-heptan-2-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1-methylhexyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(2S)-heptan-2-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2S)-heptan-2-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1-methylhexyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H24N4OS MolecularWeight: 332.46366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCC[C@H](C)NC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C17H24N4OS/c1-3-4-6-9-13(2)18-15(22)12-23-17-19-16(20-21-17)14-10-7-5-8-11-14/h5,7-8,10-11,13H,3-4,6,9,12H2,1-2H3,(H,18,22)(H,19,20,21)/t13-/m0/s1