5-ethynyl-4-(furan-2-yl)-2-(4-methylsulfonylphenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole

Systemtic Name: 5-ethynyl-4-(furan-2-yl)-2-(4-methylsulfonylphenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole Openeye Name: 5-ethynyl-4-(2-furyl)-2-(4-methylsulfonylphenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole CAS Name: 5-ethynyl-4-(2-furanyl)-2-(4-methylsulfonylphenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole IUPAC Name: 5-ethynyl-4-(furan-2-yl)-2-(4-methylsulfonylphenyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole Traditional Name: 3-ethynyl-4-(2-furyl)-1-(4-mesylphenyl)-5-phenyl-3-(trifluoromethyl)-3-pyrazoline Formula: C23H17F3N2O3S MolecularWeight: 458.45289

Click to see the large picture

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=CC=CO3)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=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C23H17F3N2O3S/c1-3-22(23(24,25)26)20(19-10-7-15-31-19)21(16-8-5-4-6-9-16)28(27-22)17-11-13-18(14-12-17)32(2,29)30/h1,4-15,27H,2H3