2-(2-methylquinolin-4-yl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(2-methylquinolin-4-yl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[(2-methyl-4-quinolyl)sulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2-methyl-4-quinolinyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(2-methylquinolin-4-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(2-methyl-4-quinolyl)thio]nicotinic acid Formula: C16H12N2O2S MolecularWeight: 296.34368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)SC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)SC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C16H12N2O2S/c1-10-9-14(11-5-2-3-7-13(11)18-10)21-15-12(16(19)20)6-4-8-17-15/h2-9H,1H3,(H,19,20)