4-(5-bromanyl-6-phenoxy-pyridin-3-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-(5-bromanyl-6-phenoxy-pyridin-3-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-[(5-bromo-6-phenoxy-3-pyridyl)sulfonyl]-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-[(5-bromo-6-phenoxy-3-pyridinyl)sulfonyl]-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-(5-bromo-6-phenoxypyridin-3-yl)sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-[(5-bromo-6-phenoxy-3-pyridyl)sulfonyl]-5-(methylthio)-2-thenoic acid Formula: C17H12BrNO5S3 MolecularWeight: 486.37988

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C(N=C2)OC3=CC=CC=C3)Br

Isomeric SMILES

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C(N=C2)OC3=CC=CC=C3)Br

InChI

InChI=1S/C17H12BrNO5S3/c1-25-17-14(8-13(26-17)16(20)21)27(22,23)11-7-12(18)15(19-9-11)24-10-5-3-2-4-6-10/h2-9H,1H3,(H,20,21)