1-(4-bromanyl-2,6-dimethyl-phenyl)-3-ethyl-5-methylsulfonyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-bromanyl-2,6-dimethyl-phenyl)-3-ethyl-5-methylsulfonyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-bromo-2,6-dimethyl-phenyl)-3-ethyl-5-methylsulfonyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-bromo-2,6-dimethylphenyl)-3-ethyl-5-methylsulfonyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-bromo-2,6-dimethylphenyl)-3-ethyl-5-methylsulfonylpyrazole-4-carboxylic acid Traditional Name: 1-(4-bromo-2,6-dimethyl-phenyl)-3-ethyl-5-mesyl-pyrazole-4-carboxylic acid Formula: C15H17BrN2O4S MolecularWeight: 401.27548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C(=O)O)S(=O)(=O)C)C2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCC1=NN(C(=C1C(=O)O)S(=O)(=O)C)C2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C15H17BrN2O4S/c1-5-11-12(15(19)20)14(23(4,21)22)18(17-11)13-8(2)6-10(16)7-9(13)3/h6-7H,5H2,1-4H3,(H,19,20)