2-pyrimidin-2-ylsulfanyl-1-[3-[4-(trifluoromethyl)phenyl]carbonylpiperidin-1-yl]ethanone

Systemtic Name: 2-pyrimidin-2-ylsulfanyl-1-[3-[4-(trifluoromethyl)phenyl]carbonylpiperidin-1-yl]ethanone Openeye Name: 2-pyrimidin-2-ylsulfanyl-1-[3-[4-(trifluoromethyl)benzoyl]-1-piperidyl]ethanone CAS Name: 1-[3-[oxo-[4-(trifluoromethyl)phenyl]methyl]-1-piperidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 2-pyrimidin-2-ylsulfanyl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]ethanone Traditional Name: 2-(2-pyrimidylthio)-1-[3-[4-(trifluoromethyl)benzoyl]piperidino]ethanone Formula: C19H18F3N3O2S MolecularWeight: 409.42533

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NC=CC=N2)C(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=NC=CC=N2)C(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H18F3N3O2S/c20-19(21,22)15-6-4-13(5-7-15)17(27)14-3-1-10-25(11-14)16(26)12-28-18-23-8-2-9-24-18/h2,4-9,14H,1,3,10-12H2