2-ethyl-4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile

Systemtic Name: 2-ethyl-4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Openeye Name: 2-ethyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile CAS Name: 2-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarbonitrile IUPAC Name: 2-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Traditional Name: 2-ethyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-mesylphenyl)pyrazole-3-carbonitrile Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=C(C=C3)OC)F)C#N

Isomeric SMILES

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=C(C=C3)OC)F)C#N

InChI

InChI=1S/C20H18FN3O3S/c1-4-24-17(12-22)19(14-7-10-18(27-2)16(21)11-14)20(23-24)13-5-8-15(9-6-13)28(3,25)26/h5-11H,4H2,1-3H3