4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-benzyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-mesylphenyl)pyridazin-3-one Formula: C25H21FN2O4S MolecularWeight: 464.508643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=NN(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=NN(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C)F

InChI

InChI=1S/C25H21FN2O4S/c1-32-23-13-10-19(14-22(23)26)24-21(18-8-11-20(12-9-18)33(2,30)31)15-27-28(25(24)29)16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3