3-(phenylmethylsulfanyl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-(phenylmethylsulfanyl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one Openeye Name: 3-benzylsulfanyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one CAS Name: 3-(phenylmethylthio)-1-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-benzylsulfanyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(benzylthio)-1-[4-[3-(trifluoromethyl)phenyl]piperazino]propan-1-one Formula: C21H23F3N2OS MolecularWeight: 408.48033

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCSCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCSCC3=CC=CC=C3

InChI

InChI=1S/C21H23F3N2OS/c22-21(23,24)18-7-4-8-19(15-18)25-10-12-26(13-11-25)20(27)9-14-28-16-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2