4-[3,4-bis(azanyl)-5-bromanyl-phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-[3,4-bis(azanyl)-5-bromanyl-phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-(3,4-diamino-5-bromo-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-(3,4-diamino-5-bromophenyl)sulfonyl-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-(3,4-diamino-5-bromophenyl)sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-(3,4-diamino-5-bromo-phenyl)sulfonyl-5-(methylthio)-2-thenoic acid Formula: C12H11BrN2O4S3 MolecularWeight: 423.32574

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C(C(=C2)N)N)Br

Isomeric SMILES

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C(C(=C2)N)N)Br

InChI

InChI=1S/C12H11BrN2O4S3/c1-20-12-9(4-8(21-12)11(16)17)22(18,19)5-2-6(13)10(15)7(14)3-5/h2-4H,14-15H2,1H3,(H,16,17)