4-[(4Z)-3-methyl-5-oxidanylidene-4-[(4-phenylmethoxyphenyl)methylidene]pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4Z)-3-methyl-5-oxidanylidene-4-[(4-phenylmethoxyphenyl)methylidene]pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4Z)-4-[(4-benzyloxyphenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4Z)-3-methyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4Z)-3-methyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4Z)-4-(4-benzoxybenzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C24H20N2O5S MolecularWeight: 448.491

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C24H20N2O5S/c1-17-23(24(27)26(25-17)20-9-13-22(14-10-20)32(28,29)30)15-18-7-11-21(12-8-18)31-16-19-5-3-2-4-6-19/h2-15H,16H2,1H3,(H,28,29,30)/b23-15-