N-[4-(cyanomethyl)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[[1-(2,5-dimethylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]thio]acetamide Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=CN=C2SCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=CN=C2SCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H20N4OS/c1-15-3-4-16(2)19(13-15)25-12-11-23-21(25)27-14-20(26)24-18-7-5-17(6-8-18)9-10-22/h3-8,11-13H,9,14H2,1-2H3,(H,24,26)