3-methyl-2-[3-(trifluoromethylsulfanyl)phenyl]butanenitrile

Systemtic Name: 3-methyl-2-[3-(trifluoromethylsulfanyl)phenyl]butanenitrile Openeye Name: 3-methyl-2-[3-(trifluoromethylsulfanyl)phenyl]butanenitrile CAS Name: 3-methyl-2-[3-(trifluoromethylthio)phenyl]butanenitrile IUPAC Name: 3-methyl-2-[3-(trifluoromethylsulfanyl)phenyl]butanenitrile Traditional Name: 3-methyl-2-[3-(trifluoromethylthio)phenyl]butyronitrile Formula: C12H12F3NS MolecularWeight: 259.29059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3NS/c1-8(2)11(7-16)9-4-3-5-10(6-9)17-12(13,14)15/h3-6,8,11H,1-2H3