(2-chloranyl-6-fluoranyl-phenyl)methyl 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetate CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]acetic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetate Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetic acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H18ClFN2O2S MolecularWeight: 404.885523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H18ClFN2O2S/c1-13-20(14(2)24(23-13)15-7-4-3-5-8-15)27-12-19(25)26-11-16-17(21)9-6-10-18(16)22/h3-10H,11-12H2,1-2H3