2-[2-(2-bromanyl-4-chloranyl-phenoxy)ethylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[2-(2-bromanyl-4-chloranyl-phenoxy)ethylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[2-(2-bromo-4-chloro-phenoxy)ethylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[2-(2-bromo-4-chlorophenoxy)ethylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2-bromo-4-chlorophenoxy)ethylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[2-(2-bromo-4-chloro-phenoxy)ethylthio]nicotinic acid Formula: C14H11BrClNO3S MolecularWeight: 388.66404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11BrClNO3S/c15-11-8-9(16)3-4-12(11)20-6-7-21-13-10(14(18)19)2-1-5-17-13/h1-5,8H,6-7H2,(H,18,19)