4-(2-methylquinolin-4-yl)sulfanylbenzoic acid

Systemtic Name: 4-(2-methylquinolin-4-yl)sulfanylbenzoic acid Openeye Name: 4-[(2-methyl-4-quinolyl)sulfanyl]benzoic acid CAS Name: 4-[(2-methyl-4-quinolinyl)thio]benzoic acid IUPAC Name: 4-(2-methylquinolin-4-yl)sulfanylbenzoic acid Traditional Name: 4-[(2-methyl-4-quinolyl)thio]benzoic acid Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H13NO2S/c1-11-10-16(14-4-2-3-5-15(14)18-11)21-13-8-6-12(7-9-13)17(19)20/h2-10H,1H3,(H,19,20)