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

Systemtic Name: ethyl 2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C15H13N4O2S2+ MolecularWeight: 345.41932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O2S2/c1-2-21-12(20)8-23-15-10(7-17)13(11-4-3-5-22-11)9(6-16)14(18)19-15/h3-5H,2,8H2,1H3,(H2,18,19)/p+1