2-[4-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-6-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-6-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-oxo-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-6-yl]-N-phenethyl-acetamide CAS Name: 2-[4-oxo-2-[[3-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidin-6-yl]-N-phenethylacetamide IUPAC Name: 2-[4-oxo-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-6-yl]-N-phenethylacetamide Traditional Name: 2-[4-keto-2-[[3-(trifluoromethyl)benzyl]thio]-1H-pyrimidin-6-yl]-N-phenethyl-acetamide Formula: C22H20F3N3O2S MolecularWeight: 447.47331

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H20F3N3O2S/c23-22(24,25)17-8-4-7-16(11-17)14-31-21-27-18(13-20(30)28-21)12-19(29)26-10-9-15-5-2-1-3-6-15/h1-8,11,13H,9-10,12,14H2,(H,26,29)(H,27,28,30)