cyclopropene; 4-(3-fluoranyl-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)-1-(trifluoromethyl)pyrazole

Systemtic Name: cyclopropene; 4-(3-fluoranyl-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)-1-(trifluoromethyl)pyrazole Openeye Name: cyclopropene; 4-(3-fluoro-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)-1-(trifluoromethyl)pyrazole CAS Name: cyclopropene; 4-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-(trifluoromethyl)pyrazole IUPAC Name: cyclopropene; 4-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-(trifluoromethyl)pyrazole Traditional Name: cyclopropene; 4-(3-fluoro-4-methoxy-phenyl)-3-(4-mesylphenyl)-1-(trifluoromethyl)pyrazole Formula: C21H18F4N2O3S MolecularWeight: 454.437833

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)F.C1C=C1

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)F.C1C=C1

InChI

InChI=1S/C18H14F4N2O3S.C3H4/c1-27-16-8-5-12(9-15(16)19)14-10-24(18(20,21)22)23-17(14)11-3-6-13(7-4-11)28(2,25)26;1-2-3-1/h3-10H,1-2H3;1-2H,3H2