2-[6-azanyl-3-cyano-5-(methylcarbamoyl)pyridin-1-ium-2-yl]sulfanylethanoate

Systemtic Name: 2-[6-azanyl-3-cyano-5-(methylcarbamoyl)pyridin-1-ium-2-yl]sulfanylethanoate Openeye Name: 2-[6-amino-3-cyano-5-(methylcarbamoyl)pyridin-1-ium-2-yl]sulfanylacetate CAS Name: 2-[[6-amino-3-cyano-5-(methylcarbamoyl)-2-pyridin-1-iumyl]thio]acetate IUPAC Name: 2-[6-amino-3-cyano-5-(methylcarbamoyl)pyridin-1-ium-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-3-cyano-5-(methylcarbamoyl)pyridin-1-ium-2-yl]thio]acetate Formula: C10H10N4O3S MolecularWeight: 266.2764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C([NH+]=C(C(=C1)C#N)SCC(=O)[O-])N

Isomeric SMILES

CNC(=O)C1=C([NH+]=C(C(=C1)C#N)SCC(=O)[O-])N

InChI

InChI=1S/C10H10N4O3S/c1-13-9(17)6-2-5(3-11)10(14-8(6)12)18-4-7(15)16/h2H,4H2,1H3,(H2,12,14)(H,13,17)(H,15,16)