5-[bis(fluoranyl)methyl]-4-(3-fluoranyl-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-enyl-pyrazole

Systemtic Name: 5-[bis(fluoranyl)methyl]-4-(3-fluoranyl-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-enyl-pyrazole Openeye Name: 1-allyl-5-(difluoromethyl)-4-(3-fluoro-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)pyrazole CAS Name: 5-(difluoromethyl)-4-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-enylpyrazole IUPAC Name: 5-(difluoromethyl)-4-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-enylpyrazole Traditional Name: 1-allyl-5-(difluoromethyl)-4-(3-fluoro-4-methoxy-phenyl)-3-(4-mesylphenyl)pyrazole Formula: C21H19F3N2O3S MolecularWeight: 436.44737

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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

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

InChI

InChI=1S/C21H19F3N2O3S/c1-4-11-26-20(21(23)24)18(14-7-10-17(29-2)16(22)12-14)19(25-26)13-5-8-15(9-6-13)30(3,27)28/h4-10,12,21H,1,11H2,2-3H3