4-(quinolin-2-ylsulfanylmethyl)benzoic acid hydrochloride

Systemtic Name: 4-(quinolin-2-ylsulfanylmethyl)benzoic acid hydrochloride Openeye Name: 4-(2-quinolylsulfanylmethyl)benzoic acid hydrochloride CAS Name: 4-[(2-quinolinylthio)methyl]benzoic acid hydrochloride IUPAC Name: 4-(quinolin-2-ylsulfanylmethyl)benzoic acid hydrochloride Traditional Name: 4-[(2-quinolylthio)methyl]benzoic acid hydrochloride Formula: C17H14ClNO2S MolecularWeight: 331.81656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC=C(C=C3)C(=O)O.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC=C(C=C3)C(=O)O.Cl

InChI

InChI=1S/C17H13NO2S.ClH/c19-17(20)14-7-5-12(6-8-14)11-21-16-10-9-13-3-1-2-4-15(13)18-16;/h1-10H,11H2,(H,19,20);1H