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

Systemtic Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-butanamide Openeye Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-butanamide CAS Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-N-phenylbutanamide IUPAC Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylbutanamide Traditional Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-N-phenyl-butyramide Formula: C13H16N4OS MolecularWeight: 276.35734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NNC(=N2)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NNC(=N2)C

InChI

InChI=1S/C13H16N4OS/c1-3-11(19-13-14-9(2)16-17-13)12(18)15-10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3,(H,15,18)(H,14,16,17)