5-(4-methylsulfonylphenyl)-3-(4-thiophen-3-ylphenyl)-4-(trifluoromethyl)-1H-pyrazole

Systemtic Name: 5-(4-methylsulfonylphenyl)-3-(4-thiophen-3-ylphenyl)-4-(trifluoromethyl)-1H-pyrazole Openeye Name: 5-(4-methylsulfonylphenyl)-3-[4-(3-thienyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole CAS Name: 5-(4-methylsulfonylphenyl)-3-[4-(3-thiophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole IUPAC Name: 5-(4-methylsulfonylphenyl)-3-(4-thiophen-3-ylphenyl)-4-(trifluoromethyl)-1H-pyrazole Traditional Name: 5-(4-mesylphenyl)-3-[4-(3-thienyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole Formula: C21H15F3N2O2S2 MolecularWeight: 448.48121

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=NN2)C3=CC=C(C=C3)C4=CSC=C4)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=NN2)C3=CC=C(C=C3)C4=CSC=C4)C(F)(F)F

InChI

InChI=1S/C21H15F3N2O2S2/c1-30(27,28)17-8-6-15(7-9-17)20-18(21(22,23)24)19(25-26-20)14-4-2-13(3-5-14)16-10-11-29-12-16/h2-12H,1H3,(H,25,26)