5-(4-ethynyl-3-fluoranyl-phenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole

Systemtic Name: 5-(4-ethynyl-3-fluoranyl-phenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole Openeye Name: 5-(4-ethynyl-3-fluoro-phenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole CAS Name: 5-(4-ethynyl-3-fluorophenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole IUPAC Name: 5-(4-ethynyl-3-fluorophenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole Traditional Name: 5-(4-ethynyl-3-fluoro-phenyl)-1-(4-mesylphenyl)-3-(trifluoromethyl)pyrazole Formula: C19H12F4N2O2S MolecularWeight: 408.369393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12F4N2O2S/c1-3-12-4-5-13(10-16(12)20)17-11-18(19(21,22)23)24-25(17)14-6-8-15(9-7-14)28(2,26)27/h1,4-11H,2H3