ethyl 2-azanyl-5-cyano-6-[2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl]sulfanyl-pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-cyano-6-[2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl]sulfanyl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 2-amino-6-[2-(2-benzoylhydrazino)-2-oxo-ethyl]sulfanyl-5-cyano-pyridin-1-ium-3-carboxylate CAS Name: 2-amino-6-[[2-(benzoylhydrazo)-2-oxoethyl]thio]-5-cyano-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-5-cyanopyridin-1-ium-3-carboxylate Traditional Name: 2-amino-6-[[2-(N'-benzoylhydrazino)-2-keto-ethyl]thio]-5-cyano-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C18H18N5O4S+ MolecularWeight: 400.43162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)SCC(=O)NNC(=O)C2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)SCC(=O)NNC(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C18H17N5O4S/c1-2-27-18(26)13-8-12(9-19)17(21-15(13)20)28-10-14(24)22-23-16(25)11-6-4-3-5-7-11/h3-8H,2,10H2,1H3,(H2,20,21)(H,22,24)(H,23,25)/p+1