2-chloranyl-3-(phenylmethylsulfanyl)pyridine-4-carboxylic acid

Systemtic Name: 2-chloranyl-3-(phenylmethylsulfanyl)pyridine-4-carboxylic acid Openeye Name: 3-benzylsulfanyl-2-chloro-pyridine-4-carboxylic acid CAS Name: 2-chloro-3-(phenylmethylthio)-4-pyridinecarboxylic acid IUPAC Name: 3-benzylsulfanyl-2-chloropyridine-4-carboxylic acid Traditional Name: 3-(benzylthio)-2-chloro-isonicotinic acid Formula: C13H10ClNO2S MolecularWeight: 279.742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=CN=C2Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=CN=C2Cl)C(=O)O

InChI

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