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

Systemtic Name: 4-(3-fluoranyl-4-methyl-phenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole Openeye Name: 4-(3-fluoro-4-methyl-phenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole CAS Name: 4-(3-fluoro-4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole IUPAC Name: 4-(3-fluoro-4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole Traditional Name: 4-(3-fluoro-4-methyl-phenyl)-3-(4-mesylphenyl)-1-propargyl-5-(trifluoromethyl)pyrazole Formula: C21H16F4N2O2S MolecularWeight: 436.422553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C21H16F4N2O2S/c1-4-11-27-20(21(23,24)25)18(15-6-5-13(2)17(22)12-15)19(26-27)14-7-9-16(10-8-14)30(3,28)29/h1,5-10,12H,11H2,2-3H3