6-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]methyl]-2-(methylthio)-3-pyridinecarbonitrile IUPAC Name: 6-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile Traditional Name: 6-[[4-[bis(4-fluorophenyl)methyl]piperazino]methyl]-2-(methylthio)nicotinonitrile Formula: C25H24F2N4S MolecularWeight: 450.546666

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=N1)CN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

CSC1=C(C=CC(=N1)CN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C25H24F2N4S/c1-32-25-20(16-28)6-11-23(29-25)17-30-12-14-31(15-13-30)24(18-2-7-21(26)8-3-18)19-4-9-22(27)10-5-19/h2-11,24H,12-15,17H2,1H3