2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(2-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(2-methylpiperidin-1-yl)ethanone Openeye Name: 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(2-methyl-1-piperidyl)ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-(2-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(2-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-1-(2-methylpiperidino)ethanone Formula: C20H22F3N3O2S MolecularWeight: 425.46779

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1CCCCN1C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22F3N3O2S/c1-13-5-3-4-10-26(13)18(27)12-29-19-24-16(11-17(25-19)20(21,22)23)14-6-8-15(28-2)9-7-14/h6-9,11,13H,3-5,10,12H2,1-2H3