2-[4-(trifluoromethylsulfanyl)phenyl]pentanenitrile

Systemtic Name: 2-[4-(trifluoromethylsulfanyl)phenyl]pentanenitrile Openeye Name: 2-[4-(trifluoromethylsulfanyl)phenyl]pentanenitrile CAS Name: 2-[4-(trifluoromethylthio)phenyl]pentanenitrile IUPAC Name: 2-[4-(trifluoromethylsulfanyl)phenyl]pentanenitrile Traditional Name: 2-[4-(trifluoromethylthio)phenyl]valeronitrile Formula: C12H12F3NS MolecularWeight: 259.29059

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#N)C1=CC=C(C=C1)SC(F)(F)F

Isomeric SMILES

CCCC(C#N)C1=CC=C(C=C1)SC(F)(F)F

InChI

InChI=1S/C12H12F3NS/c1-2-3-10(8-16)9-4-6-11(7-5-9)17-12(13,14)15/h4-7,10H,2-3H2,1H3