methyl 5-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)sulfonyl-2,4-bis(chloranyl)benzoate

Systemtic Name: methyl 5-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)sulfonyl-2,4-bis(chloranyl)benzoate Openeye Name: methyl 5-(4-bromo-3,5-dimethyl-pyrazol-1-yl)sulfonyl-2,4-dichloro-benzoate CAS Name: 5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)sulfonyl]-2,4-dichlorobenzoic acid methyl ester IUPAC Name: methyl 5-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-2,4-dichlorobenzoate Traditional Name: 5-(4-bromo-3,5-dimethyl-pyrazol-1-yl)sulfonyl-2,4-dichloro-benzoic acid methyl ester Formula: C13H11BrCl2N2O4S MolecularWeight: 442.11244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OC)Cl)Cl)C)Br

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OC)Cl)Cl)C)Br

InChI

InChI=1S/C13H11BrCl2N2O4S/c1-6-12(14)7(2)18(17-6)23(20,21)11-4-8(13(19)22-3)9(15)5-10(11)16/h4-5H,1-3H3