2-[3-(trifluoromethylsulfanyl)phenyl]butanenitrile

Systemtic Name: 2-[3-(trifluoromethylsulfanyl)phenyl]butanenitrile Openeye Name: 2-[3-(trifluoromethylsulfanyl)phenyl]butanenitrile CAS Name: 2-[3-(trifluoromethylthio)phenyl]butanenitrile IUPAC Name: 2-[3-(trifluoromethylsulfanyl)phenyl]butanenitrile Traditional Name: 2-[3-(trifluoromethylthio)phenyl]butyronitrile Formula: C11H10F3NS MolecularWeight: 245.26401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10F3NS/c1-2-8(7-15)9-4-3-5-10(6-9)16-11(12,13)14/h3-6,8H,2H2,1H3