2-[3-(4-chloranylphenoxy)propylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[3-(4-chloranylphenoxy)propylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[3-(4-chlorophenoxy)propylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[3-(4-chlorophenoxy)propylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[3-(4-chlorophenoxy)propylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[3-(4-chlorophenoxy)propylthio]nicotinic acid Formula: C15H14ClNO3S MolecularWeight: 323.79456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCCCOC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCCCOC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C15H14ClNO3S/c16-11-4-6-12(7-5-11)20-9-2-10-21-14-13(15(18)19)3-1-8-17-14/h1,3-8H,2,9-10H2,(H,18,19)