3-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-yl]oxy]thian-4-one

Systemtic Name: 3-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-yl]oxy]thian-4-one Openeye Name: 3-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-yl]oxy]tetrahydrothiopyran-4-one CAS Name: 3-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-yl]oxy]-4-thianone IUPAC Name: 3-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-yl]oxy]thian-4-one Traditional Name: 3-[[4-(4-fluorophenyl)-5-(4-mesylphenyl)-1H-pyrazol-3-yl]oxy]tetrahydrothiopyran-4-one Formula: C21H19FN2O4S2 MolecularWeight: 446.514963

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=NN2)OC3CSCCC3=O)C4=CC=C(C=C4)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=NN2)OC3CSCCC3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H19FN2O4S2/c1-30(26,27)16-8-4-14(5-9-16)20-19(13-2-6-15(22)7-3-13)21(24-23-20)28-18-12-29-11-10-17(18)25/h2-9,18H,10-12H2,1H3,(H,23,24)