2-[3-[bis(fluoranyl)methylsulfanyl]phenyl]-3-methyl-butanenitrile

Systemtic Name: 2-[3-[bis(fluoranyl)methylsulfanyl]phenyl]-3-methyl-butanenitrile Openeye Name: 2-[3-(difluoromethylsulfanyl)phenyl]-3-methyl-butanenitrile CAS Name: 2-[3-(difluoromethylthio)phenyl]-3-methylbutanenitrile IUPAC Name: 2-[3-(difluoromethylsulfanyl)phenyl]-3-methylbutanenitrile Traditional Name: 2-[3-(difluoromethylthio)phenyl]-3-methyl-butyronitrile Formula: C12H13F2NS MolecularWeight: 241.300126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2NS/c1-8(2)11(7-15)9-4-3-5-10(6-9)16-12(13)14/h3-6,8,11-12H,1-2H3