N-[3-(2-cyanoethyl)phenyl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[3-(2-cyanoethyl)phenyl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-[3-(2-cyanoethyl)phenyl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[3-(2-cyanoethyl)phenyl]-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-[3-(2-cyanoethyl)phenyl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-[3-(2-cyanoethyl)phenyl]-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C22H17F3N4OS MolecularWeight: 442.45679

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC=CC(=C3)CCC#N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC=CC(=C3)CCC#N)C(F)(F)F

InChI

InChI=1S/C22H17F3N4OS/c23-22(24,25)19-13-18(16-8-2-1-3-9-16)28-21(29-19)31-14-20(30)27-17-10-4-6-15(12-17)7-5-11-26/h1-4,6,8-10,12-13H,5,7,14H2,(H,27,30)