4-(quinolin-2-ylsulfanylmethyl)benzoic acid

Systemtic Name: 4-(quinolin-2-ylsulfanylmethyl)benzoic acid Openeye Name: 4-(2-quinolylsulfanylmethyl)benzoic acid CAS Name: 4-[(2-quinolinylthio)methyl]benzoic acid IUPAC Name: 4-(quinolin-2-ylsulfanylmethyl)benzoic acid Traditional Name: 4-[(2-quinolylthio)methyl]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)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO2S/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)