2-methoxy-4-nitro-6-[(E)-(2-pyridin-1-ium-2-ylsulfanylethanoylhydrazinylidene)methyl]phenolate

Systemtic Name: 2-methoxy-4-nitro-6-[(E)-(2-pyridin-1-ium-2-ylsulfanylethanoylhydrazinylidene)methyl]phenolate Openeye Name: 2-methoxy-4-nitro-6-[(E)-[(2-pyridin-1-ium-2-ylsulfanylacetyl)hydrazono]methyl]phenolate CAS Name: 2-methoxy-4-nitro-6-[(E)-[[1-oxo-2-(2-pyridin-1-iumylthio)ethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-methoxy-4-nitro-6-[(E)-[(2-pyridin-1-ium-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate Traditional Name: 2-methoxy-4-nitro-6-[(E)-[[2-(pyridin-1-ium-2-ylthio)acetyl]hydrazono]methyl]phenolate Formula: C15H14N4O5S MolecularWeight: 362.36046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NNC(=O)CSC2=CC=CC=[NH+]2)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)CSC2=CC=CC=[NH+]2)[O-]

InChI

InChI=1S/C15H14N4O5S/c1-24-12-7-11(19(22)23)6-10(15(12)21)8-17-18-13(20)9-25-14-4-2-3-5-16-14/h2-8,21H,9H2,1H3,(H,18,20)/b17-8+