2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propanedinitrile

Systemtic Name: 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propanedinitrile Openeye Name: 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propanedinitrile CAS Name: 2-[[4-(trifluoromethylthio)phenyl]methyl]propanedinitrile IUPAC Name: 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propanedinitrile Traditional Name: 2-[4-(trifluoromethylthio)benzyl]malononitrile Formula: C11H7F3N2S MolecularWeight: 256.24689

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C#N)C#N)SC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CC(C#N)C#N)SC(F)(F)F

InChI

InChI=1S/C11H7F3N2S/c12-11(13,14)17-10-3-1-8(2-4-10)5-9(6-15)7-16/h1-4,9H,5H2