2-(3,4-dimethoxyphenyl)-1-[3-(4-fluorophenyl)-5-methylsulfanyl-pyrazol-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-[3-(4-fluorophenyl)-5-methylsulfanyl-pyrazol-1-yl]ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)-1-[3-(4-fluorophenyl)-5-methylsulfanyl-pyrazol-1-yl]ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-[3-(4-fluorophenyl)-5-(methylthio)-1-pyrazolyl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-[3-(4-fluorophenyl)-5-methylsulfanylpyrazol-1-yl]ethanone Traditional Name: 2-(3,4-dimethoxyphenyl)-1-[3-(4-fluorophenyl)-5-(methylthio)pyrazol-1-yl]ethanone Formula: C20H19FN2O3S MolecularWeight: 386.439863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2C(=CC(=N2)C3=CC=C(C=C3)F)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2C(=CC(=N2)C3=CC=C(C=C3)F)SC)OC

InChI

InChI=1S/C20H19FN2O3S/c1-25-17-9-4-13(10-18(17)26-2)11-19(24)23-20(27-3)12-16(22-23)14-5-7-15(21)8-6-14/h4-10,12H,11H2,1-3H3