2-[2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylethanoylamino]ethanoate

Systemtic Name: 2-[2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylethanoylamino]ethanoate Openeye Name: 2-[[2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(6-amino-3,5-dicyano-2-pyridyl)thio]acetyl]amino]acetate Formula: C11H8N5O3S- MolecularWeight: 290.27792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=C1C#N)SCC(=O)NCC(=O)[O-])N)C#N

Isomeric SMILES

C1=C(C(=NC(=C1C#N)SCC(=O)NCC(=O)[O-])N)C#N

InChI

InChI=1S/C11H9N5O3S/c12-2-6-1-7(3-13)11(16-10(6)14)20-5-8(17)15-4-9(18)19/h1H,4-5H2,(H2,14,16)(H,15,17)(H,18,19)/p-1