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

Systemtic Name: 4-(7-bromanyl-3-prop-2-enyl-benzimidazol-5-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-(3-allyl-7-bromo-benzimidazol-5-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-[(7-bromo-3-prop-2-enyl-5-benzimidazolyl)sulfonyl]-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-(7-bromo-3-prop-2-enylbenzimidazol-5-yl)sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-(3-allyl-7-bromo-benzimidazol-5-yl)sulfonyl-5-(methylthio)-2-thenoic acid Formula: C16H13BrN2O4S3 MolecularWeight: 473.38442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O4S3/c1-3-4-19-8-18-14-10(17)5-9(6-11(14)19)26(22,23)13-7-12(15(20)21)25-16(13)24-2/h3,5-8H,1,4H2,2H3,(H,20,21)