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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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