1-[[5-(4-fluorophenyl)-4-(4-methylsulfanylphenyl)-1H-pyrazol-3-yl]oxy]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[5-(4-fluorophenyl)-4-(4-methylsulfanylphenyl)-1H-pyrazol-3-yl]oxy]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5-(4-fluorophenyl)-4-(4-methylsulfanylphenyl)-1H-pyrazol-3-yl]oxy]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-(4-fluorophenyl)-4-[4-(methylthio)phenyl]-1H-pyrazol-3-yl]oxy]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-(4-fluorophenyl)-4-(4-methylsulfanylphenyl)-1H-pyrazol-3-yl]oxy]-3,3-dimethylbutan-2-one Traditional Name: 1-[[5-(4-fluorophenyl)-4-[4-(methylthio)phenyl]-1H-pyrazol-3-yl]oxy]-3,3-dimethyl-butan-2-one Formula: C22H23FN2O2S MolecularWeight: 398.493623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC1=NNC(=C1C2=CC=C(C=C2)SC)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C(=O)COC1=NNC(=C1C2=CC=C(C=C2)SC)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O2S/c1-22(2,3)18(26)13-27-21-19(14-7-11-17(28-4)12-8-14)20(24-25-21)15-5-9-16(23)10-6-15/h5-12H,13H2,1-4H3,(H,24,25)