4-[(4Z)-4-[(4-bromophenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate

Systemtic Name: 4-[(4Z)-4-[(4-bromophenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate Openeye Name: 4-[(4Z)-4-[(4-bromophenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonate CAS Name: 4-[(4Z)-4-[(4-bromophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonate IUPAC Name: 4-[(4Z)-4-[(4-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonate Traditional Name: 4-[(4Z)-4-(4-bromobenzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]besylate Formula: C17H12BrN2O4S- MolecularWeight: 420.25718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)Br)C3=CC=C(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)Br)C3=CC=C(C=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C17H13BrN2O4S/c1-11-16(10-12-2-4-13(18)5-3-12)17(21)20(19-11)14-6-8-15(9-7-14)25(22,23)24/h2-10H,1H3,(H,22,23,24)/p-1/b16-10-