2-chloranyl-6-(2,5-dimethylphenyl)sulfanyl-pyridine-4-carboxylic acid

Systemtic Name: 2-chloranyl-6-(2,5-dimethylphenyl)sulfanyl-pyridine-4-carboxylic acid Openeye Name: 2-chloro-6-(2,5-dimethylphenyl)sulfanyl-pyridine-4-carboxylic acid CAS Name: 2-chloro-6-[(2,5-dimethylphenyl)thio]-4-pyridinecarboxylic acid IUPAC Name: 2-chloro-6-(2,5-dimethylphenyl)sulfanylpyridine-4-carboxylic acid Traditional Name: 2-chloro-6-[(2,5-dimethylphenyl)thio]isonicotinic acid Formula: C14H12ClNO2S MolecularWeight: 293.76858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=NC(=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=NC(=CC(=C2)C(=O)O)Cl

InChI

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