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

Systemtic Name: 1-(2-ethylpiperidin-1-yl)-2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(2-ethyl-1-piperidyl)-2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(2-ethyl-1-piperidinyl)-2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(2-ethylpiperidin-1-yl)-2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(2-ethylpiperidino)-2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethanone Formula: C21H24F3N3O2S MolecularWeight: 439.49437

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24F3N3O2S/c1-3-15-6-4-5-11-27(15)19(28)13-30-20-25-17(12-18(26-20)21(22,23)24)14-7-9-16(29-2)10-8-14/h7-10,12,15H,3-6,11,13H2,1-2H3