4-[bis(cyanomethyl)sulfamoyl]-5-bromanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-[bis(cyanomethyl)sulfamoyl]-5-bromanyl-thiophene-2-carboxylic acid Openeye Name: 4-[bis(cyanomethyl)sulfamoyl]-5-bromo-thiophene-2-carboxylic acid CAS Name: 4-[bis(cyanomethyl)sulfamoyl]-5-bromo-2-thiophenecarboxylic acid IUPAC Name: 4-[bis(cyanomethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid Traditional Name: 4-[bis(cyanomethyl)sulfamoyl]-5-bromo-2-thenoic acid Formula: C9H6BrN3O4S2 MolecularWeight: 364.19564

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1S(=O)(=O)N(CC#N)CC#N)Br)C(=O)O

Isomeric SMILES

C1=C(SC(=C1S(=O)(=O)N(CC#N)CC#N)Br)C(=O)O

InChI

InChI=1S/C9H6BrN3O4S2/c10-8-7(5-6(18-8)9(14)15)19(16,17)13(3-1-11)4-2-12/h5H,3-4H2,(H,14,15)