5-[[2,5-bis(bromanyl)thiophen-3-yl]sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[2,5-bis(bromanyl)thiophen-3-yl]sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(2,5-dibromo-3-thienyl)sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(2,5-dibromo-3-thiophenyl)sulfonylamino]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(2,5-dibromo-3-thienyl)sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid Formula: C9H7Br2N3O4S2 MolecularWeight: 445.10758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)NS(=O)(=O)C2=C(SC(=C2)Br)Br

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)NS(=O)(=O)C2=C(SC(=C2)Br)Br

InChI

InChI=1S/C9H7Br2N3O4S2/c1-14-8(4(3-12-14)9(15)16)13-20(17,18)5-2-6(10)19-7(5)11/h2-3,13H,1H3,(H,15,16)