2-(quinolin-2-ylmethylsulfanyl)benzoic acid

Systemtic Name: 2-(quinolin-2-ylmethylsulfanyl)benzoic acid Openeye Name: 2-(2-quinolylmethylsulfanyl)benzoic acid CAS Name: 2-(2-quinolinylmethylthio)benzoic acid IUPAC Name: 2-(quinolin-2-ylmethylsulfanyl)benzoic acid Traditional Name: 2-(2-quinolylmethylthio)benzoic acid Formula: C17H13NO2S MolecularWeight: 295.35562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CSC3=CC=CC=C3C(=O)O

InChI

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