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

Systemtic Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-cyano-1-methyl-ethyl)-N-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-cyano-1-methyl-ethyl)-N-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C15H17N5OS MolecularWeight: 315.39338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N(C)C(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C#N)N(C)C(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C15H17N5OS/c1-15(2,10-16)20(3)12(21)9-22-14-17-13(18-19-14)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,17,18,19)