2-[2-(4-bromanylphenoxy)ethylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[2-(4-bromanylphenoxy)ethylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[2-(4-bromophenoxy)ethylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[2-(4-bromophenoxy)ethylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(4-bromophenoxy)ethylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[2-(4-bromophenoxy)ethylthio]nicotinic acid Formula: C14H12BrNO3S MolecularWeight: 354.21898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCCOC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCCOC2=CC=C(C=C2)Br)C(=O)O

InChI

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