4-(4-methylsulfanylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazole

Systemtic Name: 4-(4-methylsulfanylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazole Openeye Name: 4-(4-methylsulfanylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazole CAS Name: 3-(4-methylsulfonylphenyl)-4-[4-(methylthio)phenyl]-1-prop-1-ynyl-5-(trifluoromethyl)pyrazole IUPAC Name: 4-(4-methylsulfanylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazole Traditional Name: 3-(4-mesylphenyl)-4-[4-(methylthio)phenyl]-1-prop-1-ynyl-5-(trifluoromethyl)pyrazole Formula: C21H17F3N2O2S2 MolecularWeight: 450.49709

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Descriptors Computed from Structure

Canonical SMILES:

CC#CN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)SC)C(F)(F)F

Isomeric SMILES

CC#CN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)SC)C(F)(F)F

InChI

InChI=1S/C21H17F3N2O2S2/c1-4-13-26-20(21(22,23)24)18(14-5-9-16(29-2)10-6-14)19(25-26)15-7-11-17(12-8-15)30(3,27)28/h5-12H,1-3H3