2-[4-(3-fluoranyl-4-methoxy-phenyl)-5-methyl-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanenitrile

Systemtic Name: 2-[4-(3-fluoranyl-4-methoxy-phenyl)-5-methyl-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[4-(3-fluoro-4-methoxy-phenyl)-5-methyl-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-(3-fluoro-4-methoxyphenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-(3-fluoro-4-methoxyphenyl)-5-methyl-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[4-(3-fluoro-4-methoxy-phenyl)-3-(4-mesylphenyl)-5-methyl-pyrazol-1-yl]acetonitrile Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O3S/c1-13-19(15-6-9-18(27-2)17(21)12-15)20(23-24(13)11-10-22)14-4-7-16(8-5-14)28(3,25)26/h4-9,12H,11H2,1-3H3