1-[[5-(4-methylsulfonylphenyl)-4-phenyl-1H-pyrazol-3-yl]oxy]butan-2-one

Systemtic Name: 1-[[5-(4-methylsulfonylphenyl)-4-phenyl-1H-pyrazol-3-yl]oxy]butan-2-one Openeye Name: 1-[[5-(4-methylsulfonylphenyl)-4-phenyl-1H-pyrazol-3-yl]oxy]butan-2-one CAS Name: 1-[[5-(4-methylsulfonylphenyl)-4-phenyl-1H-pyrazol-3-yl]oxy]-2-butanone IUPAC Name: 1-[[5-(4-methylsulfonylphenyl)-4-phenyl-1H-pyrazol-3-yl]oxy]butan-2-one Traditional Name: 1-[[5-(4-mesylphenyl)-4-phenyl-1H-pyrazol-3-yl]oxy]butan-2-one Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)COC1=NNC(=C1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC(=O)COC1=NNC(=C1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H20N2O4S/c1-3-16(23)13-26-20-18(14-7-5-4-6-8-14)19(21-22-20)15-9-11-17(12-10-15)27(2,24)25/h4-12H,3,13H2,1-2H3,(H,21,22)