ethyl 2-azanyl-5-cyano-6-phenacylsulfanyl-pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-cyano-6-phenacylsulfanyl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 2-amino-5-cyano-6-phenacylsulfanyl-pyridin-1-ium-3-carboxylate CAS Name: 2-amino-5-cyano-6-(phenacylthio)-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-cyano-6-phenacylsulfanylpyridin-1-ium-3-carboxylate Traditional Name: 2-amino-5-cyano-6-(phenacylthio)pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C17H16N3O3S+ MolecularWeight: 342.39224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c1-2-23-17(22)13-8-12(9-18)16(20-15(13)19)24-10-14(21)11-6-4-3-5-7-11/h3-8H,2,10H2,1H3,(H2,19,20)/p+1