4-(4-methylphenyl)-5-(3-methylsulfonylphenyl)-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 4-(4-methylphenyl)-5-(3-methylsulfonylphenyl)-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-5-(3-methylsulfonylphenyl)-4-(p-tolyl)pyridazin-3-one CAS Name: 4-(4-methylphenyl)-5-(3-methylsulfonylphenyl)-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-(4-methylphenyl)-5-(3-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-benzyl-5-(3-mesylphenyl)-4-(p-tolyl)pyridazin-3-one Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN(C2=O)CC3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN(C2=O)CC3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C25H22N2O3S/c1-18-11-13-20(14-12-18)24-23(21-9-6-10-22(15-21)31(2,29)30)16-26-27(25(24)28)17-19-7-4-3-5-8-19/h3-16H,17H2,1-2H3