1-(4-methylphenyl)sulfanyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol

Systemtic Name: 1-(4-methylphenyl)sulfanyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol Openeye Name: 1-(p-tolylsulfanyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol CAS Name: 1-[(4-methylphenyl)thio]-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-2-propanol IUPAC Name: 1-(4-methylphenyl)sulfanyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol Traditional Name: 1-(p-tolylthio)-3-[4-[3-(trifluoromethyl)phenyl]piperazino]propan-2-ol Formula: C21H25F3N2OS MolecularWeight: 410.49621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O

InChI

InChI=1S/C21H25F3N2OS/c1-16-5-7-20(8-6-16)28-15-19(27)14-25-9-11-26(12-10-25)18-4-2-3-17(13-18)21(22,23)24/h2-8,13,19,27H,9-12,14-15H2,1H3