1-(4-bromanyl-3-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole

Systemtic Name: 1-(4-bromanyl-3-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole Openeye Name: 1-(4-bromo-3-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole CAS Name: 1-(4-bromo-3-methoxyphenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole IUPAC Name: 1-(4-bromo-3-methoxyphenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole Traditional Name: 1-(4-bromo-3-methoxy-phenyl)-5-(4-mesylphenyl)-3-(trifluoromethyl)pyrazole Formula: C18H14BrF3N2O3S MolecularWeight: 475.27957

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)Br

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)Br

InChI

InChI=1S/C18H14BrF3N2O3S/c1-27-16-9-12(5-8-14(16)19)24-15(10-17(23-24)18(20,21)22)11-3-6-13(7-4-11)28(2,25)26/h3-10H,1-2H3