2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-1-piperidino-ethanone Formula: C18H17F4N3OS MolecularWeight: 399.405693

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H17F4N3OS/c19-13-6-4-12(5-7-13)14-10-15(18(20,21)22)24-17(23-14)27-11-16(26)25-8-2-1-3-9-25/h4-7,10H,1-3,8-9,11H2