4-(3-fluoranyl-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole

Systemtic Name: 4-(3-fluoranyl-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole Openeye Name: 4-(3-fluoro-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole CAS Name: 4-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole IUPAC Name: 4-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole Traditional Name: 4-(3-fluoro-4-methoxy-phenyl)-3-(4-mesylphenyl)-1-propargyl-5-(trifluoromethyl)pyrazole Formula: C21H16F4N2O3S MolecularWeight: 452.421953

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#C)C(F)(F)F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#C)C(F)(F)F)F

InChI

InChI=1S/C21H16F4N2O3S/c1-4-11-27-20(21(23,24)25)18(14-7-10-17(30-2)16(22)12-14)19(26-27)13-5-8-15(9-6-13)31(3,28)29/h1,5-10,12H,11H2,2-3H3