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

Systemtic Name: 3-[(3,4-dimethylphenyl)methylsulfonyl]-1H-pyridazin-6-one Openeye Name: 3-[(3,4-dimethylphenyl)methylsulfonyl]-1H-pyridazin-6-one CAS Name: 3-[(3,4-dimethylphenyl)methylsulfonyl]-1H-pyridazin-6-one IUPAC Name: 3-[(3,4-dimethylphenyl)methylsulfonyl]-1H-pyridazin-6-one Traditional Name: 3-(3,4-dimethylbenzyl)sulfonyl-1H-pyridazin-6-one Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CS(=O)(=O)C2=NNC(=O)C=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)CS(=O)(=O)C2=NNC(=O)C=C2)C

InChI

InChI=1S/C13H14N2O3S/c1-9-3-4-11(7-10(9)2)8-19(17,18)13-6-5-12(16)14-15-13/h3-7H,8H2,1-2H3,(H,14,16)