5-chloranyl-6-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxylic acid

Systemtic Name: 5-chloranyl-6-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxylic acid Openeye Name: 5-chloro-6-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxylic acid CAS Name: 5-chloro-6-[(2,5-dimethylphenyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 5-chloro-6-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 5-chloro-6-[(2,5-dimethylphenyl)thio]nicotinic acid Formula: C14H12ClNO2S MolecularWeight: 293.76858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=C(C=N2)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=C(C=N2)C(=O)O)Cl

InChI

InChI=1S/C14H12ClNO2S/c1-8-3-4-9(2)12(5-8)19-13-11(15)6-10(7-16-13)14(17)18/h3-7H,1-2H3,(H,17,18)