4-chloranyl-1-methyl-3-[3-(2-methylsulfonylethoxy)-4-nitro-phenoxy]-5-(trifluoromethyl)pyrazole

Systemtic Name: 4-chloranyl-1-methyl-3-[3-(2-methylsulfonylethoxy)-4-nitro-phenoxy]-5-(trifluoromethyl)pyrazole Openeye Name: 4-chloro-1-methyl-3-[3-(2-methylsulfonylethoxy)-4-nitro-phenoxy]-5-(trifluoromethyl)pyrazole CAS Name: 4-chloro-1-methyl-3-[3-(2-methylsulfonylethoxy)-4-nitrophenoxy]-5-(trifluoromethyl)pyrazole IUPAC Name: 4-chloro-1-methyl-3-[3-(2-methylsulfonylethoxy)-4-nitrophenoxy]-5-(trifluoromethyl)pyrazole Traditional Name: 4-chloro-3-[3-(2-mesylethoxy)-4-nitro-phenoxy]-1-methyl-5-(trifluoromethyl)pyrazole Formula: C14H13ClF3N3O6S MolecularWeight: 443.78273

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)OC2=CC(=C(C=C2)[N+](=O)[O-])OCCS(=O)(=O)C)Cl)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)OC2=CC(=C(C=C2)[N+](=O)[O-])OCCS(=O)(=O)C)Cl)C(F)(F)F

InChI

InChI=1S/C14H13ClF3N3O6S/c1-20-12(14(16,17)18)11(15)13(19-20)27-8-3-4-9(21(22)23)10(7-8)26-5-6-28(2,24)25/h3-4,7H,5-6H2,1-2H3