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

Systemtic Name: (2-propan-2-ylsulfanylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (2-isopropylsulfanylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: [2-(propan-2-ylthio)phenyl]-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-propan-2-ylsulfanylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: [2-(isopropylthio)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazino]methanone Formula: C21H23F3N2OS MolecularWeight: 408.48033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)SC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N2OS/c1-15(2)28-19-9-4-3-8-18(19)20(27)26-12-10-25(11-13-26)17-7-5-6-16(14-17)21(22,23)24/h3-9,14-15H,10-13H2,1-2H3