1-(4-methylsulfonylphenyl)-5-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)pyrazole

Systemtic Name: 1-(4-methylsulfonylphenyl)-5-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)pyrazole Openeye Name: 1-(4-methylsulfonylphenyl)-5-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)pyrazole CAS Name: 1-(4-methylsulfonylphenyl)-5-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)pyrazole IUPAC Name: 1-(4-methylsulfonylphenyl)-5-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)pyrazole Traditional Name: 1-(4-mesylphenyl)-5-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)pyrazole Formula: C25H17F3N2O2S MolecularWeight: 466.47489

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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#CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C25H17F3N2O2S/c1-33(31,32)22-15-13-21(14-16-22)30-23(17-24(29-30)25(26,27)28)20-11-9-19(10-12-20)8-7-18-5-3-2-4-6-18/h2-6,9-17H,1H3