N-(2-cyanoethyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]thio]acetamide Formula: C16H18N4OS MolecularWeight: 314.40532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)NCCC#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)NCCC#N)C

InChI

InChI=1S/C16H18N4OS/c1-12-5-3-6-14(13(12)2)20-10-9-19-16(20)22-11-15(21)18-8-4-7-17/h3,5-6,9-10H,4,8,11H2,1-2H3,(H,18,21)