4-[5-(4-fluorophenyl)-6-oxidanylidene-1-(phenylmethyl)pyridazin-4-yl]benzenesulfonic acid

Systemtic Name: 4-[5-(4-fluorophenyl)-6-oxidanylidene-1-(phenylmethyl)pyridazin-4-yl]benzenesulfonic acid Openeye Name: 4-[1-benzyl-5-(4-fluorophenyl)-6-oxo-pyridazin-4-yl]benzenesulfonic acid CAS Name: 4-[5-(4-fluorophenyl)-6-oxo-1-(phenylmethyl)-4-pyridazinyl]benzenesulfonic acid IUPAC Name: 4-[1-benzyl-5-(4-fluorophenyl)-6-oxopyridazin-4-yl]benzenesulfonic acid Traditional Name: 4-[1-benzyl-5-(4-fluorophenyl)-6-keto-pyridazin-4-yl]besylic acid Formula: C23H17FN2O4S MolecularWeight: 436.455483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H17FN2O4S/c24-19-10-6-18(7-11-19)22-21(17-8-12-20(13-9-17)31(28,29)30)14-25-26(23(22)27)15-16-4-2-1-3-5-16/h1-14H,15H2,(H,28,29,30)