N-(3-cyanothiophen-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C12H9N3O2S2 MolecularWeight: 291.34876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NC2=C(C=CS2)C#N)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NC2=C(C=CS2)C#N)[O-]

InChI

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