4-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-5-(4-methylsulfonylphenyl)-2-oxidanyl-pyridazin-2-ium-3-one

Systemtic Name: 4-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-5-(4-methylsulfonylphenyl)-2-oxidanyl-pyridazin-2-ium-3-one Openeye Name: 4-(4-fluorophenyl)-2-hydroxy-2-[4-(hydroxymethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridazin-2-ium-3-one CAS Name: 4-(4-fluorophenyl)-2-hydroxy-2-[4-(hydroxymethyl)phenyl]-5-(4-methylsulfonylphenyl)-3-pyridazin-2-iumone IUPAC Name: 4-(4-fluorophenyl)-2-hydroxy-2-[4-(hydroxymethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridazin-2-ium-3-one Traditional Name: 4-(4-fluorophenyl)-2-hydroxy-5-(4-mesylphenyl)-2-(4-methylolphenyl)pyridazin-2-ium-3-one Formula: C24H20FN2O5S+ MolecularWeight: 467.489403

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)[N+](N=C2)(C3=CC=C(C=C3)CO)O)C4=CC=C(C=C4)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)[N+](N=C2)(C3=CC=C(C=C3)CO)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H20FN2O5S/c1-33(31,32)21-12-6-17(7-13-21)22-14-26-27(30,20-10-2-16(15-28)3-11-20)24(29)23(22)18-4-8-19(25)9-5-18/h2-14,28,30H,15H2,1H3/q+1