2-piperazin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanenitrile

Systemtic Name: 2-piperazin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanenitrile Openeye Name: 2-piperazin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile CAS Name: 2-(1-piperazinyl)-2-[4-(trifluoromethylthio)phenyl]acetonitrile IUPAC Name: 2-piperazin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile Traditional Name: 2-piperazino-2-[4-(trifluoromethylthio)phenyl]acetonitrile Formula: C13H14F3N3S MolecularWeight: 301.33057

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C#N)C2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

C1CN(CCN1)C(C#N)C2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C13H14F3N3S/c14-13(15,16)20-11-3-1-10(2-4-11)12(9-17)19-7-5-18-6-8-19/h1-4,12,18H,5-8H2