N-[2-(cyanomethylsulfanyl)phenyl]-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]acetamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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