2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-pyridazin-3-one

Systemtic Name: 2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-pyridazin-3-one Openeye Name: 2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-pyridazin-3-one CAS Name: 2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-3-pyridazinone IUPAC Name: 2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenylpyridazin-3-one Traditional Name: 2-tert-butyl-5-(4-mesylphenyl)-4-phenyl-pyridazin-3-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-21(2,3)23-20(24)19(16-8-6-5-7-9-16)18(14-22-23)15-10-12-17(13-11-15)27(4,25)26/h5-14H,1-4H3