2-(4-azanyl-5-cyano-3-pyridin-1-ium-1-yl-thiophen-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(4-azanyl-5-cyano-3-pyridin-1-ium-1-yl-thiophen-2-yl)sulfanylethanoic acid Openeye Name: 2-[(4-amino-5-cyano-3-pyridin-1-ium-1-yl-2-thienyl)sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-cyano-3-(1-pyridin-1-iumyl)-2-thiophenyl]thio]acetic acid IUPAC Name: 2-(4-amino-5-cyano-3-pyridin-1-ium-1-ylthiophen-2-yl)sulfanylacetic acid Traditional Name: 2-[(4-amino-5-cyano-3-pyridin-1-ium-1-yl-2-thienyl)thio]acetic acid Formula: C12H10N3O2S2+ MolecularWeight: 292.3567

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=C(SC(=C2N)C#N)SCC(=O)O

Isomeric SMILES

C1=CC=[N+](C=C1)C2=C(SC(=C2N)C#N)SCC(=O)O

InChI

InChI=1S/C12H9N3O2S2/c13-6-8-10(14)11(15-4-2-1-3-5-15)12(19-8)18-7-9(16)17/h1-5H,7,14H2/p+1