2-(6-azanyl-3,5-dicyano-4-ethyl-pyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-ethyl-pyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: 2-(6-amino-3,5-dicyano-4-ethyl-pyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(6-amino-3,5-dicyano-4-ethyl-2-pyridin-1-iumyl)thio]acetate IUPAC Name: 2-(6-amino-3,5-dicyano-4-ethylpyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(6-amino-3,5-dicyano-4-ethyl-pyridin-1-ium-2-yl)thio]acetate Formula: C11H10N4O2S MolecularWeight: 262.2877

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=[NH+]C(=C1C#N)SCC(=O)[O-])N)C#N

Isomeric SMILES

CCC1=C(C(=[NH+]C(=C1C#N)SCC(=O)[O-])N)C#N

InChI

InChI=1S/C11H10N4O2S/c1-2-6-7(3-12)10(14)15-11(8(6)4-13)18-5-9(16)17/h2,5H2,1H3,(H2,14,15)(H,16,17)