2-[2-sulfanyl-4-(trifluoromethyl)phenyl]ethanenitrile

Systemtic Name: 2-[2-sulfanyl-4-(trifluoromethyl)phenyl]ethanenitrile Openeye Name: 2-[2-sulfanyl-4-(trifluoromethyl)phenyl]acetonitrile CAS Name: 2-[2-mercapto-4-(trifluoromethyl)phenyl]acetonitrile IUPAC Name: 2-[2-sulfanyl-4-(trifluoromethyl)phenyl]acetonitrile Traditional Name: 2-[2-mercapto-4-(trifluoromethyl)phenyl]acetonitrile Formula: C9H6F3NS MolecularWeight: 217.21085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)S)CC#N

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)S)CC#N

InChI

InChI=1S/C9H6F3NS/c10-9(11,12)7-2-1-6(3-4-13)8(14)5-7/h1-2,5,14H,3H2