N-[4-(cyanomethyl)phenyl]-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[[1-propyl-6-(trifluoromethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]thio]acetamide Formula: C21H19F3N4OS MolecularWeight: 432.46197

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H19F3N4OS/c1-2-11-28-18-12-15(21(22,23)24)5-8-17(18)27-20(28)30-13-19(29)26-16-6-3-14(4-7-16)9-10-25/h3-8,12H,2,9,11,13H2,1H3,(H,26,29)