4-(6-methylpyridin-3-yl)-5-(3-methylsulfonylphenyl)-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 4-(6-methylpyridin-3-yl)-5-(3-methylsulfonylphenyl)-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-4-(6-methyl-3-pyridyl)-5-(3-methylsulfonylphenyl)pyridazin-3-one CAS Name: 4-(6-methyl-3-pyridinyl)-5-(3-methylsulfonylphenyl)-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-(6-methylpyridin-3-yl)-5-(3-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-benzyl-5-(3-mesylphenyl)-4-(6-methyl-3-pyridyl)pyridazin-3-one Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O3S/c1-17-11-12-20(14-25-17)23-22(19-9-6-10-21(13-19)31(2,29)30)15-26-27(24(23)28)16-18-7-4-3-5-8-18/h3-15H,16H2,1-2H3