1-(2-methylpiperidin-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propan-1-one

Systemtic Name: 1-(2-methylpiperidin-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propan-1-one Openeye Name: 1-(2-methyl-1-piperidyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propan-1-one CAS Name: 1-(2-methyl-1-piperidinyl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-propanone IUPAC Name: 1-(2-methylpiperidin-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-one Traditional Name: 1-(2-methylpiperidino)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propan-1-one Formula: C20H22F3N3OS MolecularWeight: 409.46839

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C(C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC1CCCCN1C(=O)C(C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C20H22F3N3OS/c1-13-8-6-7-11-26(13)18(27)14(2)28-19-24-16(15-9-4-3-5-10-15)12-17(25-19)20(21,22)23/h3-5,9-10,12-14H,6-8,11H2,1-2H3