2-chloranyl-6-(phenylmethylsulfanyl)pyridine-4-carboxylic acid

Systemtic Name: 2-chloranyl-6-(phenylmethylsulfanyl)pyridine-4-carboxylic acid Openeye Name: 2-benzylsulfanyl-6-chloro-pyridine-4-carboxylic acid CAS Name: 2-chloro-6-(phenylmethylthio)-4-pyridinecarboxylic acid IUPAC Name: 2-benzylsulfanyl-6-chloropyridine-4-carboxylic acid Traditional Name: 2-(benzylthio)-6-chloro-isonicotinic acid Formula: C13H10ClNO2S MolecularWeight: 279.742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC(=C2)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC(=C2)C(=O)O)Cl

InChI

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