1-(3-fluoranyl-4-methylsulfonyl-phenyl)-5-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazole

Systemtic Name: 1-(3-fluoranyl-4-methylsulfonyl-phenyl)-5-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazole Openeye Name: 1-(3-fluoro-4-methylsulfonyl-phenyl)-5-[4-(2-thienyl)phenyl]-3-(trifluoromethyl)pyrazole CAS Name: 1-(3-fluoro-4-methylsulfonylphenyl)-5-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazole IUPAC Name: 1-(3-fluoro-4-methylsulfonylphenyl)-5-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazole Traditional Name: 1-(3-fluoro-4-mesyl-phenyl)-5-[4-(2-thienyl)phenyl]-3-(trifluoromethyl)pyrazole Formula: C21H14F4N2O2S2 MolecularWeight: 466.471673

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)C4=CC=CS4)F

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)C4=CC=CS4)F

InChI

InChI=1S/C21H14F4N2O2S2/c1-31(28,29)19-9-8-15(11-16(19)22)27-17(12-20(26-27)21(23,24)25)13-4-6-14(7-5-13)18-3-2-10-30-18/h2-12H,1H3