2-[(5-bromanyl-2,4-dimethoxy-phenyl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(5-bromanyl-2,4-dimethoxy-phenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(5-bromo-2,4-dimethoxy-phenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(5-bromo-2,4-dimethoxyphenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(5-bromo-2,4-dimethoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(5-bromo-2,4-dimethoxy-benzyl)thio]nicotinic acid Formula: C15H14BrNO4S MolecularWeight: 384.24496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSC2=C(C=CC=N2)C(=O)O)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1CSC2=C(C=CC=N2)C(=O)O)Br)OC

InChI

InChI=1S/C15H14BrNO4S/c1-20-12-7-13(21-2)11(16)6-9(12)8-22-14-10(15(18)19)4-3-5-17-14/h3-7H,8H2,1-2H3,(H,18,19)