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

Systemtic Name: 4-(3-fluoranyl-4-methoxy-phenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1-prop-2-enyl-pyrazole Openeye Name: 1-allyl-4-(3-fluoro-4-methoxy-phenyl)-5-methyl-3-(4-methylsulfonylphenyl)pyrazole CAS Name: 4-(3-fluoro-4-methoxyphenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1-prop-2-enylpyrazole IUPAC Name: 4-(3-fluoro-4-methoxyphenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1-prop-2-enylpyrazole Traditional Name: 1-allyl-4-(3-fluoro-4-methoxy-phenyl)-3-(4-mesylphenyl)-5-methyl-pyrazole Formula: C21H21FN2O3S MolecularWeight: 400.466443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC=C)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=C(C(=NN1CC=C)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H21FN2O3S/c1-5-12-24-14(2)20(16-8-11-19(27-3)18(22)13-16)21(23-24)15-6-9-17(10-7-15)28(4,25)26/h5-11,13H,1,12H2,2-4H3