2-(2-methyl-4-phenyl-quinolin-3-yl)sulfanylbenzoic acid hydrochloride

Systemtic Name: 2-(2-methyl-4-phenyl-quinolin-3-yl)sulfanylbenzoic acid hydrochloride Openeye Name: 2-[(2-methyl-4-phenyl-3-quinolyl)sulfanyl]benzoic acid hydrochloride CAS Name: 2-[(2-methyl-4-phenyl-3-quinolinyl)thio]benzoic acid hydrochloride IUPAC Name: 2-(2-methyl-4-phenylquinolin-3-yl)sulfanylbenzoic acid hydrochloride Traditional Name: 2-[(2-methyl-4-phenyl-3-quinolyl)thio]benzoic acid hydrochloride Formula: C23H18ClNO2S MolecularWeight: 407.91252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1SC3=CC=CC=C3C(=O)O)C4=CC=CC=C4.Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1SC3=CC=CC=C3C(=O)O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C23H17NO2S.ClH/c1-15-22(27-20-14-8-6-12-18(20)23(25)26)21(16-9-3-2-4-10-16)17-11-5-7-13-19(17)24-15;/h2-14H,1H3,(H,25,26);1H