1-[4-(phenylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-one Traditional Name: 1-(4-benzylpiperidino)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]propan-1-one Formula: C20H22F3N3OS MolecularWeight: 409.46839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3OS/c1-14(28-19-24-10-7-17(25-19)20(21,22)23)18(27)26-11-8-16(9-12-26)13-15-5-3-2-4-6-15/h2-7,10,14,16H,8-9,11-13H2,1H3