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

Systemtic Name: 2-methylsulfanyl-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyridine-3-carbonitrile Openeye Name: 2-methylsulfanyl-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyridine-3-carbonitrile CAS Name: 2-(methylthio)-6-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-3-pyridinecarbonitrile IUPAC Name: 2-methylsulfanyl-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyridine-3-carbonitrile Traditional Name: 2-(methylthio)-6-[[4-[3-(trifluoromethyl)phenyl]piperazino]methyl]nicotinonitrile Formula: C19H19F3N4S MolecularWeight: 392.44117

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N4S/c1-27-18-14(12-23)5-6-16(24-18)13-25-7-9-26(10-8-25)17-4-2-3-15(11-17)19(20,21)22/h2-6,11H,7-10,13H2,1H3