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

Systemtic Name: 5-(4-ethynyl-3-methyl-phenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole Openeye Name: 5-(4-ethynyl-3-methyl-phenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole CAS Name: 5-(4-ethynyl-3-methylphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole IUPAC Name: 5-(4-ethynyl-3-methylphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole Traditional Name: 5-(4-ethynyl-3-methyl-phenyl)-1-(4-mesylphenyl)-3-(trifluoromethyl)pyrazole Formula: C20H15F3N2O2S MolecularWeight: 404.40551

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#C

InChI

InChI=1S/C20H15F3N2O2S/c1-4-14-5-6-15(11-13(14)2)18-12-19(20(21,22)23)24-25(18)16-7-9-17(10-8-16)28(3,26)27/h1,5-12H,2-3H3