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

Systemtic Name: 1-(2-ethylpiperidin-1-yl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(2-ethyl-1-piperidyl)-2-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(2-ethyl-1-piperidinyl)-2-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(2-ethylpiperidin-1-yl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(2-ethylpiperidino)-2-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethanone Formula: C18H20F3N3O2S MolecularWeight: 399.43051

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

InChI

InChI=1S/C18H20F3N3O2S/c1-2-12-6-3-4-8-24(12)16(25)11-27-17-22-13(14-7-5-9-26-14)10-15(23-17)18(19,20)21/h5,7,9-10,12H,2-4,6,8,11H2,1H3