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

Systemtic Name: methyl 2-[5-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-2-cyano-4-fluoranyl-phenyl]sulfanylethanoate Openeye Name: methyl 2-[5-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-2-cyano-4-fluoro-phenyl]sulfanylacetate CAS Name: 2-[[5-(4-chloro-3,5-dimethyl-1-pyrazolyl)-2-cyano-4-fluorophenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyano-4-fluorophenyl]sulfanylacetate Traditional Name: 2-[[5-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-2-cyano-4-fluoro-phenyl]thio]acetic acid methyl ester Formula: C15H13ClFN3O2S MolecularWeight: 353.799023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=C(C=C(C(=C2)SCC(=O)OC)C#N)F)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=C(C=C(C(=C2)SCC(=O)OC)C#N)F)C)Cl

InChI

InChI=1S/C15H13ClFN3O2S/c1-8-15(16)9(2)20(19-8)12-5-13(23-7-14(21)22-3)10(6-18)4-11(12)17/h4-5H,7H2,1-3H3