2-[[8-fluoranyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[8-fluoranyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]acetonitrile CAS Name: 2-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]thio]acetonitrile IUPAC Name: 2-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]acetonitrile Traditional Name: 2-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]thio]acetonitrile Formula: C12H5F4N5S MolecularWeight: 327.260213

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)N3C(=NN=C3C(F)(F)F)C(=N2)SCC#N

Isomeric SMILES

C1=CC2=C(C=C1F)N3C(=NN=C3C(F)(F)F)C(=N2)SCC#N

InChI

InChI=1S/C12H5F4N5S/c13-6-1-2-7-8(5-6)21-9(10(18-7)22-4-3-17)19-20-11(21)12(14,15)16/h1-2,5H,4H2