1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-phenylsulfanyl-propan-1-one Openeye Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-2-phenylsulfanyl-propan-1-one CAS Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2-(phenylthio)-1-propanone IUPAC Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-phenylsulfanylpropan-1-one Traditional Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]-2-(phenylthio)propan-1-one Formula: C19H19ClF3N3OS MolecularWeight: 429.88687

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)SC3=CC=CC=C3

InChI

InChI=1S/C19H19ClF3N3OS/c1-13(28-15-5-3-2-4-6-15)18(27)26-9-7-25(8-10-26)17-16(20)11-14(12-24-17)19(21,22)23/h2-6,11-13H,7-10H2,1H3