3-[(3,4-dimethoxyphenyl)methylsulfonyl]-1H-pyridazin-6-one

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methylsulfonyl]-1H-pyridazin-6-one Openeye Name: 3-[(3,4-dimethoxyphenyl)methylsulfonyl]-1H-pyridazin-6-one CAS Name: 3-[(3,4-dimethoxyphenyl)methylsulfonyl]-1H-pyridazin-6-one IUPAC Name: 3-[(3,4-dimethoxyphenyl)methylsulfonyl]-1H-pyridazin-6-one Traditional Name: 3-veratrylsulfonyl-1H-pyridazin-6-one Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CS(=O)(=O)C2=NNC(=O)C=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CS(=O)(=O)C2=NNC(=O)C=C2)OC

InChI

InChI=1S/C13H14N2O5S/c1-19-10-4-3-9(7-11(10)20-2)8-21(17,18)13-6-5-12(16)14-15-13/h3-7H,8H2,1-2H3,(H,14,16)