(2-propylsulfanylpyridin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (2-propylsulfanylpyridin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (2-propylsulfanyl-3-pyridyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: [2-(propylthio)-3-pyridinyl]-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-propylsulfanylpyridin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: [2-(propylthio)-3-pyridyl]-[4-[3-(trifluoromethyl)phenyl]piperazino]methanone Formula: C20H22F3N3OS MolecularWeight: 409.46839

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC=N1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCCSC1=C(C=CC=N1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3OS/c1-2-13-28-18-17(7-4-8-24-18)19(27)26-11-9-25(10-12-26)16-6-3-5-15(14-16)20(21,22)23/h3-8,14H,2,9-13H2,1H3