1-[3,5-dimethyl-1-(phenylsulfonyl)pyrazol-4-yl]ethanone

Systemtic Name: 1-[3,5-dimethyl-1-(phenylsulfonyl)pyrazol-4-yl]ethanone Openeye Name: 1-[1-(benzenesulfonyl)-3,5-dimethyl-pyrazol-4-yl]ethanone CAS Name: 1-[1-(benzenesulfonyl)-3,5-dimethyl-4-pyrazolyl]ethanone IUPAC Name: 1-[1-(benzenesulfonyl)-3,5-dimethylpyrazol-4-yl]ethanone Traditional Name: 1-(1-besyl-3,5-dimethyl-pyrazol-4-yl)ethanone Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2)C)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2)C)C(=O)C

InChI

InChI=1S/C13H14N2O3S/c1-9-13(11(3)16)10(2)15(14-9)19(17,18)12-7-5-4-6-8-12/h4-8H,1-3H3