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

Systemtic Name: ethyl 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]acetic acid ethyl ester Formula: C11H11N4O2S+ MolecularWeight: 263.29564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C(=[NH+]1)N)C#N)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C(=[NH+]1)N)C#N)C#N

InChI

InChI=1S/C11H10N4O2S/c1-2-17-9(16)6-18-11-8(5-13)3-7(4-12)10(14)15-11/h3H,2,6H2,1H3,(H2,14,15)/p+1