N-[2-(cyanomethylsulfanyl)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[[1-(2,5-dimethylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]thio]acetamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=CN=C2SCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=CN=C2SCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C21H20N4OS2/c1-15-7-8-16(2)18(13-15)25-11-10-23-21(25)28-14-20(26)24-17-5-3-4-6-19(17)27-12-9-22/h3-8,10-11,13H,12,14H2,1-2H3,(H,24,26)