2-[7-(trifluoromethyl)quinolin-4-yl]sulfanylethanenitrile

Systemtic Name: 2-[7-(trifluoromethyl)quinolin-4-yl]sulfanylethanenitrile Openeye Name: 2-[[7-(trifluoromethyl)-4-quinolyl]sulfanyl]acetonitrile CAS Name: 2-[[7-(trifluoromethyl)-4-quinolinyl]thio]acetonitrile IUPAC Name: 2-[7-(trifluoromethyl)quinolin-4-yl]sulfanylacetonitrile Traditional Name: 2-[[7-(trifluoromethyl)-4-quinolyl]thio]acetonitrile Formula: C12H7F3N2S MolecularWeight: 268.25759

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C=C1C(F)(F)F)SCC#N

Isomeric SMILES

C1=CC2=C(C=CN=C2C=C1C(F)(F)F)SCC#N

InChI

InChI=1S/C12H7F3N2S/c13-12(14,15)8-1-2-9-10(7-8)17-5-3-11(9)18-6-4-16/h1-3,5,7H,6H2