2-phenylsulfanyl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 2-phenylsulfanyl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propan-1-one Openeye Name: 2-phenylsulfanyl-1-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propan-1-one CAS Name: 2-(phenylthio)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-phenylsulfanyl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propan-1-one Traditional Name: 2-(phenylthio)-1-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]propan-1-one Formula: C19H20F3N3OS MolecularWeight: 395.44181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F)SC3=CC=CC=C3

InChI

InChI=1S/C19H20F3N3OS/c1-14(27-16-5-3-2-4-6-16)18(26)25-11-9-24(10-12-25)17-8-7-15(13-23-17)19(20,21)22/h2-8,13-14H,9-12H2,1H3