2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylethanoic acid Openeye Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]acetic acid CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]acetic acid IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanylacetic acid Traditional Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)thio]acetic acid Formula: C9H6N4O2S MolecularWeight: 234.23454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=C1C#N)SCC(=O)O)N)C#N

Isomeric SMILES

C1=C(C(=NC(=C1C#N)SCC(=O)O)N)C#N

InChI

InChI=1S/C9H6N4O2S/c10-2-5-1-6(3-11)9(13-8(5)12)16-4-7(14)15/h1H,4H2,(H2,12,13)(H,14,15)