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

Systemtic Name: 5-[bis(fluoranyl)methyl]-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-enyl-pyrazole Openeye Name: 1-allyl-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-4-(p-tolyl)pyrazole CAS Name: 5-(difluoromethyl)-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-enylpyrazole IUPAC Name: 5-(difluoromethyl)-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-enylpyrazole Traditional Name: 1-allyl-5-(difluoromethyl)-3-(4-mesylphenyl)-4-(p-tolyl)pyrazole Formula: C21H20F2N2O2S MolecularWeight: 402.457506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F2N2O2S/c1-4-13-25-20(21(22)23)18(15-7-5-14(2)6-8-15)19(24-25)16-9-11-17(12-10-16)28(3,26)27/h4-12,21H,1,13H2,2-3H3