2-(quinolin-2-ylsulfanylmethyl)benzoic acid

Systemtic Name: 2-(quinolin-2-ylsulfanylmethyl)benzoic acid Openeye Name: 2-(2-quinolylsulfanylmethyl)benzoic acid CAS Name: 2-[(2-quinolinylthio)methyl]benzoic acid IUPAC Name: 2-(quinolin-2-ylsulfanylmethyl)benzoic acid Traditional Name: 2-[(2-quinolylthio)methyl]benzoic acid Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC=CC=C3C(=O)O

InChI

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