[4-[(E)-[(4-bromanyl-2-methyl-pyrazol-3-yl)carbonylhydrazinylidene]methyl]phenyl] benzenesulfonate

Systemtic Name: [4-[(E)-[(4-bromanyl-2-methyl-pyrazol-3-yl)carbonylhydrazinylidene]methyl]phenyl] benzenesulfonate Openeye Name: [4-[(E)-[(4-bromo-2-methyl-pyrazole-3-carbonyl)hydrazono]methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(E)-[[(4-bromo-2-methyl-3-pyrazolyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(4-bromo-2-methylpyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(E)-[(4-bromo-2-methyl-pyrazole-3-carbonyl)hydrazono]methyl]phenyl] ester Formula: C18H15BrN4O4S MolecularWeight: 463.3051

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)C(=O)NN=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C=N1)Br)C(=O)N/N=C/C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15BrN4O4S/c1-23-17(16(19)12-21-23)18(24)22-20-11-13-7-9-14(10-8-13)27-28(25,26)15-5-3-2-4-6-15/h2-12H,1H3,(H,22,24)/b20-11+