(4-azanyl-5-cyano-6-ethoxy-pyridin-2-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (4-azanyl-5-cyano-6-ethoxy-pyridin-2-yl) tris(fluoranyl)methanesulfonate Openeye Name: (4-amino-5-cyano-6-ethoxy-2-pyridyl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (4-amino-5-cyano-6-ethoxy-2-pyridinyl) ester IUPAC Name: (4-amino-5-cyano-6-ethoxypyridin-2-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (4-amino-5-cyano-6-ethoxy-2-pyridyl) ester Formula: C9H8F3N3O4S MolecularWeight: 311.23773

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=N1)OS(=O)(=O)C(F)(F)F)N)C#N

Isomeric SMILES

CCOC1=C(C(=CC(=N1)OS(=O)(=O)C(F)(F)F)N)C#N

InChI

InChI=1S/C9H8F3N3O4S/c1-2-18-8-5(4-13)6(14)3-7(15-8)19-20(16,17)9(10,11)12/h3H,2H2,1H3,(H2,14,15)