1-[5-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-3-yl]-4-oxidanyl-butan-1-one

Systemtic Name: 1-[5-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-3-yl]-4-oxidanyl-butan-1-one Openeye Name: 4-hydroxy-1-[5-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-3-yl]butan-1-one CAS Name: 4-hydroxy-1-[5-(4-methylsulfonylphenyl)-1-phenyl-3-pyrazolyl]-1-butanone IUPAC Name: 4-hydroxy-1-[5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]butan-1-one Traditional Name: 4-hydroxy-1-[5-(4-mesylphenyl)-1-phenyl-pyrazol-3-yl]butan-1-one Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C(=O)CCCO

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C(=O)CCCO

InChI

InChI=1S/C20H20N2O4S/c1-27(25,26)17-11-9-15(10-12-17)19-14-18(20(24)8-5-13-23)21-22(19)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,23H,5,8,13H2,1H3