N-[4-(cyanomethyl)phenyl]-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-amyl-1,2,4-triazol-3-yl)thio]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C17H21N5OS MolecularWeight: 343.44654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C17H21N5OS/c1-2-3-4-11-22-13-19-21-17(22)24-12-16(23)20-15-7-5-14(6-8-15)9-10-18/h5-8,13H,2-4,9,11-12H2,1H3,(H,20,23)