4-[5-ethynyl-2-(4-methylsulfonylphenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole

Systemtic Name: 4-[5-ethynyl-2-(4-methylsulfonylphenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole Openeye Name: 4-[5-ethynyl-2-(4-methylsulfonylphenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]thiazole CAS Name: 4-[5-ethynyl-2-(4-methylsulfonylphenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]thiazole IUPAC Name: 4-[5-ethynyl-2-(4-methylsulfonylphenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole Traditional Name: 4-[3-ethynyl-1-(4-mesylphenyl)-5-phenyl-3-(trifluoromethyl)-3-pyrazolin-4-yl]thiazole Formula: C22H16F3N3O2S2 MolecularWeight: 475.50655

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C(=C(C(N2)(C#C)C(F)(F)F)C3=CSC=N3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C(=C(C(N2)(C#C)C(F)(F)F)C3=CSC=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H16F3N3O2S2/c1-3-21(22(23,24)25)19(18-13-31-14-26-18)20(15-7-5-4-6-8-15)28(27-21)16-9-11-17(12-10-16)32(2,29)30/h1,4-14,27H,2H3