4-[(4E)-4-[(4-aminophenyl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4E)-4-[(4-aminophenyl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4E)-4-[(4-aminophenyl)methylene]-5-oxo-3-phenyl-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4E)-4-[(4-aminophenyl)methylidene]-5-oxo-3-phenyl-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4E)-4-[(4-aminophenyl)methylidene]-5-oxo-3-phenylpyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4E)-4-(4-aminobenzylidene)-5-keto-3-phenyl-2-pyrazolin-1-yl]besylic acid Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=CC=C(C=C3)N)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C\2=NN(C(=O)/C2=C/C3=CC=C(C=C3)N)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C22H17N3O4S/c23-17-8-6-15(7-9-17)14-20-21(16-4-2-1-3-5-16)24-25(22(20)26)18-10-12-19(13-11-18)30(27,28)29/h1-14H,23H2,(H,27,28,29)/b20-14+