[3-[(2-pyridin-1-ium-2-ylsulfanylethanoylhydrazinylidene)methyl]phenyl] 4-bromanyl-2-methyl-pyrazole-3-carboxylate

Systemtic Name: [3-[(2-pyridin-1-ium-2-ylsulfanylethanoylhydrazinylidene)methyl]phenyl] 4-bromanyl-2-methyl-pyrazole-3-carboxylate Openeye Name: [3-[[(2-pyridin-1-ium-2-ylsulfanylacetyl)hydrazono]methyl]phenyl] 4-bromo-2-methyl-pyrazole-3-carboxylate CAS Name: 4-bromo-2-methyl-3-pyrazolecarboxylic acid [3-[[[1-oxo-2-(2-pyridin-1-iumylthio)ethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[[(2-pyridin-1-ium-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenyl] 4-bromo-2-methylpyrazole-3-carboxylate Traditional Name: 4-bromo-2-methyl-pyrazole-3-carboxylic acid [3-[[[2-(pyridin-1-ium-2-ylthio)acetyl]hydrazono]methyl]phenyl] ester Formula: C19H17BrN5O3S+ MolecularWeight: 475.33898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)C(=O)OC2=CC=CC(=C2)C=NNC(=O)CSC3=CC=CC=[NH+]3

Isomeric SMILES

CN1C(=C(C=N1)Br)C(=O)OC2=CC=CC(=C2)C=NNC(=O)CSC3=CC=CC=[NH+]3

InChI

InChI=1S/C19H16BrN5O3S/c1-25-18(15(20)11-23-25)19(27)28-14-6-4-5-13(9-14)10-22-24-16(26)12-29-17-7-2-3-8-21-17/h2-11H,12H2,1H3,(H,24,26)/p+1