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

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

Systemtic Name:4-nitro-2-[(E)-(2-pyridin-1-ium-2-ylsulfanylethanoylhydrazinylidene)methyl]phenolate
Openeye Name:4-nitro-2-[(E)-[(2-pyridin-1-ium-2-ylsulfanylacetyl)hydrazono]methyl]phenolate
CAS Name:4-nitro-2-[(E)-[[1-oxo-2-(2-pyridin-1-iumylthio)ethyl]hydrazinylidene]methyl]phenolate
IUPAC Name:4-nitro-2-[(E)-[(2-pyridin-1-ium-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate
Traditional Name:4-nitro-2-[(E)-[[2-(pyridin-1-ium-2-ylthio)acetyl]hydrazono]methyl]phenolate
Formula: C14H12N4O4S
MolecularWeight: 332.33448
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)SCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]


Isomeric SMILES

C1=CC=[NH+]C(=C1)SCC(=O)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])[O-]


InChI

InChI=1S/C14H12N4O4S/c19-12-5-4-11(18(21)22)7-10(12)8-16-17-13(20)9-23-14-3-1-2-6-15-14/h1-8,19H,9H2,(H,17,20)/b16-8+


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