4-[3-(2-chloranyl-4-methylsulfonyl-phenoxy)-5-(trifluoromethyl)phenyl]-2-methyl-1H-pyrazol-5-one

Systemtic Name: 4-[3-(2-chloranyl-4-methylsulfonyl-phenoxy)-5-(trifluoromethyl)phenyl]-2-methyl-1H-pyrazol-5-one Openeye Name: 4-[3-(2-chloro-4-methylsulfonyl-phenoxy)-5-(trifluoromethyl)phenyl]-2-methyl-1H-pyrazol-5-one CAS Name: 4-[3-(2-chloro-4-methylsulfonylphenoxy)-5-(trifluoromethyl)phenyl]-2-methyl-1H-pyrazol-5-one IUPAC Name: 4-[3-(2-chloro-4-methylsulfonylphenoxy)-5-(trifluoromethyl)phenyl]-2-methyl-1H-pyrazol-5-one Traditional Name: 4-[3-(2-chloro-4-mesyl-phenoxy)-5-(trifluoromethyl)phenyl]-1-methyl-3-pyrazolin-3-one Formula: C18H14ClF3N2O4S MolecularWeight: 446.82797

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N1)C2=CC(=CC(=C2)OC3=C(C=C(C=C3)S(=O)(=O)C)Cl)C(F)(F)F

Isomeric SMILES

CN1C=C(C(=O)N1)C2=CC(=CC(=C2)OC3=C(C=C(C=C3)S(=O)(=O)C)Cl)C(F)(F)F

InChI

InChI=1S/C18H14ClF3N2O4S/c1-24-9-14(17(25)23-24)10-5-11(18(20,21)22)7-12(6-10)28-16-4-3-13(8-15(16)19)29(2,26)27/h3-9H,1-2H3,(H,23,25)