1-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3-(2-oxidanylidenebutoxy)pyrazol-1-yl]butan-2-one

Systemtic Name: 1-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3-(2-oxidanylidenebutoxy)pyrazol-1-yl]butan-2-one Openeye Name: 1-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3-(2-oxobutoxy)pyrazol-1-yl]butan-2-one CAS Name: 1-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3-(2-oxobutoxy)-1-pyrazolyl]-2-butanone IUPAC Name: 1-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3-(2-oxobutoxy)pyrazol-1-yl]butan-2-one Traditional Name: 1-[5-(4-fluorophenyl)-3-(2-ketobutoxy)-4-(4-mesylphenyl)pyrazol-1-yl]butan-2-one Formula: C24H25FN2O5S MolecularWeight: 472.529103

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN1C(=C(C(=N1)OCC(=O)CC)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(=O)CN1C(=C(C(=N1)OCC(=O)CC)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H25FN2O5S/c1-4-19(28)14-27-23(17-6-10-18(25)11-7-17)22(24(26-27)32-15-20(29)5-2)16-8-12-21(13-9-16)33(3,30)31/h6-13H,4-5,14-15H2,1-3H3