1-[4-(phenylmethyl)piperazin-1-yl]-2-[4-(trifluoromethyl)pyridin-3-yl]sulfanyl-ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-2-[4-(trifluoromethyl)pyridin-3-yl]sulfanyl-ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[[4-(trifluoromethyl)-3-pyridyl]sulfanyl]ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-2-[[4-(trifluoromethyl)-3-pyridinyl]thio]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[4-(trifluoromethyl)pyridin-3-yl]sulfanylethanone Traditional Name: 1-(4-benzylpiperazino)-2-[[4-(trifluoromethyl)-3-pyridyl]thio]ethanone Formula: C19H20F3N3OS MolecularWeight: 395.44181

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=C(C=CN=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=C(C=CN=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3OS/c20-19(21,22)16-6-7-23-12-17(16)27-14-18(26)25-10-8-24(9-11-25)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2