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

Systemtic Name: 2-methoxy-6-[(E)-(2-pyridin-1-ium-2-ylsulfanylethanoylhydrazinylidene)methyl]phenolate Openeye Name: 2-methoxy-6-[(E)-[(2-pyridin-1-ium-2-ylsulfanylacetyl)hydrazono]methyl]phenolate CAS Name: 2-methoxy-6-[(E)-[[1-oxo-2-(2-pyridin-1-iumylthio)ethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-methoxy-6-[(E)-[(2-pyridin-1-ium-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenolate Traditional Name: 2-methoxy-6-[(E)-[[2-(pyridin-1-ium-2-ylthio)acetyl]hydrazono]methyl]phenolate Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3S/c1-21-12-6-4-5-11(15(12)20)9-17-18-13(19)10-22-14-7-2-3-8-16-14/h2-9,20H,10H2,1H3,(H,18,19)/b17-9+