[3-[(phenylmethylsulfanyl)methyl]phenyl]-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone

Systemtic Name: [3-[(phenylmethylsulfanyl)methyl]phenyl]-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Openeye Name: [3-(benzylsulfanylmethyl)phenyl]-[4-[3-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methanone CAS Name: [3-[(phenylmethylthio)methyl]phenyl]-[4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: [3-(benzylsulfanylmethyl)phenyl]-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Traditional Name: [3-[(benzylthio)methyl]phenyl]-[4-[3-(trifluoromethyl)-2-pyridyl]piperazino]methanone Formula: C25H24F3N3OS MolecularWeight: 471.53777

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C(F)(F)F)C(=O)C3=CC(=CC=C3)CSCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C(F)(F)F)C(=O)C3=CC(=CC=C3)CSCC4=CC=CC=C4

InChI

InChI=1S/C25H24F3N3OS/c26-25(27,28)22-10-5-11-29-23(22)30-12-14-31(15-13-30)24(32)21-9-4-8-20(16-21)18-33-17-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2