2-[(2-methylphenyl)methyl]-5-(4-methylsulfonylphenyl)-4-phenyl-pyridazin-3-one

Systemtic Name: 2-[(2-methylphenyl)methyl]-5-(4-methylsulfonylphenyl)-4-phenyl-pyridazin-3-one Openeye Name: 5-(4-methylsulfonylphenyl)-2-(o-tolylmethyl)-4-phenyl-pyridazin-3-one CAS Name: 2-[(2-methylphenyl)methyl]-5-(4-methylsulfonylphenyl)-4-phenyl-3-pyridazinone IUPAC Name: 2-[(2-methylphenyl)methyl]-5-(4-methylsulfonylphenyl)-4-phenylpyridazin-3-one Traditional Name: 5-(4-mesylphenyl)-2-(2-methylbenzyl)-4-phenyl-pyridazin-3-one Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=O)C(=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CN2C(=O)C(=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

InChI

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