ethyl 2-azanyl-5-cyano-6-(2,4-dinitrophenyl)sulfanyl-pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-cyano-6-(2,4-dinitrophenyl)sulfanyl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 2-amino-5-cyano-6-(2,4-dinitrophenyl)sulfanyl-pyridin-1-ium-3-carboxylate CAS Name: 2-amino-5-cyano-6-[(2,4-dinitrophenyl)thio]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-cyano-6-(2,4-dinitrophenyl)sulfanylpyridin-1-ium-3-carboxylate Traditional Name: 2-amino-5-cyano-6-[(2,4-dinitrophenyl)thio]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C15H12N5O6S+ MolecularWeight: 390.35068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C15H11N5O6S/c1-2-26-15(21)10-5-8(7-16)14(18-13(10)17)27-12-4-3-9(19(22)23)6-11(12)20(24)25/h3-6H,2H2,1H3,(H2,17,18)/p+1