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

Systemtic Name: 4-[(E)-(2-pyridin-1-ium-2-ylsulfanylethanoylhydrazinylidene)methyl]phenolate Openeye Name: 4-[(E)-[(2-pyridin-1-ium-2-ylsulfanylacetyl)hydrazono]methyl]phenolate CAS Name: 4-[(E)-[[1-oxo-2-(2-pyridin-1-iumylthio)ethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 4-[(E)-[(2-pyridin-1-ium-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate Traditional Name: 4-[(E)-[[2-(pyridin-1-ium-2-ylthio)acetyl]hydrazono]methyl]phenolate Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O2S/c18-12-6-4-11(5-7-12)9-16-17-13(19)10-20-14-3-1-2-8-15-14/h1-9,18H,10H2,(H,17,19)/b16-9+