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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=C(C=C(C=C2C)Br)C)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=C(C=C(C=C2C)Br)C)S(=O)(=O)C)C(=O)O

InChI

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