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

Systemtic Name: methyl 2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: methyl 2-[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]sulfanylacetate CAS Name: 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridin-1-iumyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]thio]acetic acid methyl ester Formula: C14H11N4O2S2+ MolecularWeight: 331.39274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CS2)C#N

Isomeric SMILES

COC(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CS2)C#N

InChI

InChI=1S/C14H10N4O2S2/c1-20-11(19)7-22-14-9(6-16)12(10-3-2-4-21-10)8(5-15)13(17)18-14/h2-4H,7H2,1H3,(H2,17,18)/p+1