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

Systemtic Name: ethyl 2-(6-azanyl-3,5-dicyano-4-ethyl-pyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: ethyl 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]acetic acid ethyl ester IUPAC Name: ethyl 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]acetic acid ethyl ester Formula: C13H15N4O2S+ MolecularWeight: 291.3488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O2S/c1-3-8-9(5-14)12(16)17-13(10(8)6-15)20-7-11(18)19-4-2/h3-4,7H2,1-2H3,(H2,16,17)/p+1