2-[2-(3-bromanylphenoxy)ethylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[2-(3-bromanylphenoxy)ethylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[2-(3-bromophenoxy)ethylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[2-(3-bromophenoxy)ethylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(3-bromophenoxy)ethylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[2-(3-bromophenoxy)ethylthio]nicotinic acid Formula: C14H12BrNO3S MolecularWeight: 354.21898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCCSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCCSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H12BrNO3S/c15-10-3-1-4-11(9-10)19-7-8-20-13-12(14(17)18)5-2-6-16-13/h1-6,9H,7-8H2,(H,17,18)