6-methyl-2-phenylsulfanyl-pyridine-3-carboxylic acid

Systemtic Name: 6-methyl-2-phenylsulfanyl-pyridine-3-carboxylic acid Openeye Name: 6-methyl-2-phenylsulfanyl-pyridine-3-carboxylic acid CAS Name: 6-methyl-2-(phenylthio)-3-pyridinecarboxylic acid IUPAC Name: 6-methyl-2-phenylsulfanylpyridine-3-carboxylic acid Traditional Name: 6-methyl-2-(phenylthio)nicotinic acid Formula: C13H11NO2S MolecularWeight: 245.29694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO2S/c1-9-7-8-11(13(15)16)12(14-9)17-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)