N-(3-chloranyl-4-cyano-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H10ClN3O2S MolecularWeight: 319.7661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NC2=CC(=C(C=C2)C#N)Cl)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NC2=CC(=C(C=C2)C#N)Cl)[O-]

InChI

InChI=1S/C14H10ClN3O2S/c15-12-7-11(5-4-10(12)8-16)17-13(19)9-21-14-3-1-2-6-18(14)20/h1-7H,9H2,(H,17,19)