(3-cyano-5-fluoranyl-pyrazin-2-yl)methanesulfonic acid

Systemtic Name: (3-cyano-5-fluoranyl-pyrazin-2-yl)methanesulfonic acid Openeye Name: (3-cyano-5-fluoro-pyrazin-2-yl)methanesulfonic acid CAS Name: (3-cyano-5-fluoro-2-pyrazinyl)methanesulfonic acid IUPAC Name: (3-cyano-5-fluoropyrazin-2-yl)methanesulfonic acid Traditional Name: (3-cyano-5-fluoro-pyrazin-2-yl)methanesulfonic acid Formula: C6H4FN3O3S MolecularWeight: 217.177663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(C(=N1)CS(=O)(=O)O)C#N)F

Isomeric SMILES

C1=C(N=C(C(=N1)CS(=O)(=O)O)C#N)F

InChI

InChI=1S/C6H4FN3O3S/c7-6-2-9-5(3-14(11,12)13)4(1-8)10-6/h2H,3H2,(H,11,12,13)