2-[(2-chlorophenyl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2-chlorophenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2-chlorobenzyl)thio]nicotinic acid Formula: C13H10ClNO2S MolecularWeight: 279.742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClNO2S/c14-11-6-2-1-4-9(11)8-18-12-10(13(16)17)5-3-7-15-12/h1-7H,8H2,(H,16,17)