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

Systemtic Name: 4-(4-methoxy-3-methyl-phenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole Openeye Name: 4-(4-methoxy-3-methyl-phenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole CAS Name: 4-(4-methoxy-3-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole IUPAC Name: 4-(4-methoxy-3-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole Traditional Name: 3-(4-mesylphenyl)-4-(4-methoxy-3-methyl-phenyl)-1-propargyl-5-(trifluoromethyl)pyrazole Formula: C22H19F3N2O3S MolecularWeight: 448.45807

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#C)C(F)(F)F)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#C)C(F)(F)F)OC

InChI

InChI=1S/C22H19F3N2O3S/c1-5-12-27-21(22(23,24)25)19(16-8-11-18(30-3)14(2)13-16)20(26-27)15-6-9-17(10-7-15)31(4,28)29/h1,6-11,13H,12H2,2-4H3