N-[2-(cyanomethylsulfanyl)phenyl]-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[[1-propyl-6-(trifluoromethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]thio]acetamide Formula: C21H19F3N4OS2 MolecularWeight: 464.52697

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C21H19F3N4OS2/c1-2-10-28-17-12-14(21(22,23)24)7-8-15(17)27-20(28)31-13-19(29)26-16-5-3-4-6-18(16)30-11-9-25/h3-8,12H,2,10-11,13H2,1H3,(H,26,29)