2-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(5-chloro-2-methoxyphenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(5-chloro-2-methoxy-benzyl)thio]nicotinic acid Formula: C14H12ClNO3S MolecularWeight: 309.76798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H12ClNO3S/c1-19-12-5-4-10(15)7-9(12)8-20-13-11(14(17)18)3-2-6-16-13/h2-7H,8H2,1H3,(H,17,18)