4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-enyl-5-(trifluoromethyl)pyrazole

Systemtic Name: 4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-enyl-5-(trifluoromethyl)pyrazole Openeye Name: 1-allyl-4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole CAS Name: 4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-enyl-5-(trifluoromethyl)pyrazole IUPAC Name: 4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-enyl-5-(trifluoromethyl)pyrazole Traditional Name: 1-allyl-3-(4-mesylphenyl)-4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole Formula: C21H19F3N2O3S MolecularWeight: 436.44737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N2O3S/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/h4-12H,1,13H2,2-3H3