1-chloranyl-3-methyl-benzene; 5-sulfanylpyridine-2-carboxylic acid

Systemtic Name: 1-chloranyl-3-methyl-benzene; 5-sulfanylpyridine-2-carboxylic acid Openeye Name: 1-chloro-3-methyl-benzene; 5-sulfanylpyridine-2-carboxylic acid CAS Name: 1-chloro-3-methylbenzene; 5-mercapto-2-pyridinecarboxylic acid IUPAC Name: 1-chloro-3-methylbenzene; 5-sulfanylpyridine-2-carboxylic acid Traditional Name: 1-chloro-3-methyl-benzene; 5-mercaptopicolinic acid Formula: C13H12ClNO2S MolecularWeight: 281.75788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)Cl.C1=CC(=NC=C1S)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)Cl.C1=CC(=NC=C1S)C(=O)O

InChI

InChI=1S/C7H7Cl.C6H5NO2S/c1-6-3-2-4-7(8)5-6;8-6(9)5-2-1-4(10)3-7-5/h2-5H,1H3;1-3,10H,(H,8,9)