4-(7-bromanyl-3-phenyl-benzimidazol-5-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-(7-bromanyl-3-phenyl-benzimidazol-5-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-(7-bromo-3-phenyl-benzimidazol-5-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-[(7-bromo-3-phenyl-5-benzimidazolyl)sulfonyl]-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-(7-bromo-3-phenylbenzimidazol-5-yl)sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-(7-bromo-3-phenyl-benzimidazol-5-yl)sulfonyl-5-(methylthio)-2-thenoic acid Formula: C19H13BrN2O4S3 MolecularWeight: 509.41652

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C3C(=C2)N(C=N3)C4=CC=CC=C4)Br

Isomeric SMILES

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C3C(=C2)N(C=N3)C4=CC=CC=C4)Br

InChI

InChI=1S/C19H13BrN2O4S3/c1-27-19-16(9-15(28-19)18(23)24)29(25,26)12-7-13(20)17-14(8-12)22(10-21-17)11-5-3-2-4-6-11/h2-10H,1H3,(H,23,24)