2-ethyl-4-[5-methyl-2-(methylsulfonylmethyl)pyrazol-3-yl]carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-ethyl-4-[5-methyl-2-(methylsulfonylmethyl)pyrazol-3-yl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-[5-methyl-2-(methylsulfonylmethyl)pyrazole-3-carbonyl]-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[5-methyl-2-(methylsulfonylmethyl)-3-pyrazolyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-[5-methyl-2-(methylsulfonylmethyl)pyrazole-3-carbonyl]-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-[2-(mesylmethyl)-5-methyl-pyrazole-3-carbonyl]-3-pyrazolin-3-one Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=CC(=NN2CS(=O)(=O)C)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=CC(=NN2CS(=O)(=O)C)C

InChI

InChI=1S/C12H16N4O4S/c1-4-15-12(18)9(6-13-15)11(17)10-5-8(2)14-16(10)7-21(3,19)20/h5-6,13H,4,7H2,1-3H3