ethyl 2,4-bis(chloranyl)-5-(4-chloranyl-1-methyl-5-methylsulfanyl-pyrazol-3-yl)benzoate

Systemtic Name: ethyl 2,4-bis(chloranyl)-5-(4-chloranyl-1-methyl-5-methylsulfanyl-pyrazol-3-yl)benzoate Openeye Name: ethyl 2,4-dichloro-5-(4-chloro-1-methyl-5-methylsulfanyl-pyrazol-3-yl)benzoate CAS Name: 2,4-dichloro-5-[4-chloro-1-methyl-5-(methylthio)-3-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 2,4-dichloro-5-(4-chloro-1-methyl-5-methylsulfanylpyrazol-3-yl)benzoate Traditional Name: 2,4-dichloro-5-[4-chloro-1-methyl-5-(methylthio)pyrazol-3-yl]benzoic acid ethyl ester Formula: C14H13Cl3N2O2S MolecularWeight: 379.68922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C(=C1)C2=NN(C(=C2Cl)SC)C)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(C(=C1)C2=NN(C(=C2Cl)SC)C)Cl)Cl

InChI

InChI=1S/C14H13Cl3N2O2S/c1-4-21-14(20)8-5-7(9(15)6-10(8)16)12-11(17)13(22-3)19(2)18-12/h5-6H,4H2,1-3H3