2-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-5-(4-mesylphenyl)pyridazin-3-one Formula: C25H21FN2O3S MolecularWeight: 448.509243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C(=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C(=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H21FN2O3S/c1-16-5-4-6-23(17(16)2)28-25(29)24(19-7-11-20(26)12-8-19)22(15-27-28)18-9-13-21(14-10-18)32(3,30)31/h4-15H,1-3H3