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

Systemtic Name: 4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-benzyl-4-(3,4-dimethylphenyl)-5-(4-mesylphenyl)pyridazin-3-one Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O3S/c1-18-9-10-22(15-19(18)2)25-24(21-11-13-23(14-12-21)32(3,30)31)16-27-28(26(25)29)17-20-7-5-4-6-8-20/h4-16H,17H2,1-3H3