methyl 2-chloranyl-5-(1,4-dimethyl-5-methylsulfanyl-pyrazol-3-yl)-4-fluoranyl-benzoate

Systemtic Name: methyl 2-chloranyl-5-(1,4-dimethyl-5-methylsulfanyl-pyrazol-3-yl)-4-fluoranyl-benzoate Openeye Name: methyl 2-chloro-5-(1,4-dimethyl-5-methylsulfanyl-pyrazol-3-yl)-4-fluoro-benzoate CAS Name: 2-chloro-5-[1,4-dimethyl-5-(methylthio)-3-pyrazolyl]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-4-fluorobenzoate Traditional Name: 2-chloro-5-[1,4-dimethyl-5-(methylthio)pyrazol-3-yl]-4-fluoro-benzoic acid methyl ester Formula: C14H14ClFN2O2S MolecularWeight: 328.789563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C2=CC(=C(C=C2F)Cl)C(=O)OC)C)SC

Isomeric SMILES

CC1=C(N(N=C1C2=CC(=C(C=C2F)Cl)C(=O)OC)C)SC

InChI

InChI=1S/C14H14ClFN2O2S/c1-7-12(17-18(2)13(7)21-4)9-5-8(14(19)20-3)10(15)6-11(9)16/h5-6H,1-4H3