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

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H19N5OS2 MolecularWeight: 421.53846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4SCC#N

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4SCC#N

InChI

InChI=1S/C21H19N5OS2/c22-12-13-28-18-9-5-4-8-17(18)23-19(27)14-29-21-25-24-20(15-10-11-15)26(21)16-6-2-1-3-7-16/h1-9,15H,10-11,13-14H2,(H,23,27)