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

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazino]methanone Formula: C20H21F3N2O2S MolecularWeight: 410.45315

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N2O2S/c1-27-18-13-16(28-2)6-7-17(18)19(26)25-10-8-24(9-11-25)15-5-3-4-14(12-15)20(21,22)23/h3-7,12-13H,8-11H2,1-2H3