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

Systemtic Name: 1-[3-(3-fluoranyl-4-phenyl-phenyl)carbonylpiperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[3-(3-fluoro-4-phenyl-benzoyl)-1-piperidyl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[3-[(3-fluoro-4-phenylphenyl)-oxomethyl]-1-piperidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[3-(3-fluoro-4-phenyl-benzoyl)piperidino]-2-(2-pyrimidylthio)ethanone Formula: C24H22FN3O2S MolecularWeight: 435.513783

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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)C4=CC=CC=C4)F

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=NC=CC=N2)C(=O)C3=CC(=C(C=C3)C4=CC=CC=C4)F

InChI

InChI=1S/C24H22FN3O2S/c25-21-14-18(9-10-20(21)17-6-2-1-3-7-17)23(30)19-8-4-13-28(15-19)22(29)16-31-24-26-11-5-12-27-24/h1-3,5-7,9-12,14,19H,4,8,13,15-16H2