4-(dimethylaminomethyl)-2-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 4-(dimethylaminomethyl)-2-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 4-(dimethylaminomethyl)-2-isobutyl-6-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 4-(dimethylaminomethyl)-2-(2-methylpropyl)-6-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 4-(dimethylaminomethyl)-2-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 4-(dimethylaminomethyl)-2-isobutyl-6-(4-mesylphenyl)pyridazin-3-one Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)S(=O)(=O)C)CN(C)C

Isomeric SMILES

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)S(=O)(=O)C)CN(C)C

InChI

InChI=1S/C18H25N3O3S/c1-13(2)11-21-18(22)15(12-20(3)4)10-17(19-21)14-6-8-16(9-7-14)25(5,23)24/h6-10,13H,11-12H2,1-5H3