8-(phenylmethylsulfanyl)quinoline-5-carboxylic acid

Systemtic Name: 8-(phenylmethylsulfanyl)quinoline-5-carboxylic acid Openeye Name: 8-benzylsulfanylquinoline-5-carboxylic acid CAS Name: 8-(phenylmethylthio)-5-quinolinecarboxylic acid IUPAC Name: 8-benzylsulfanylquinoline-5-carboxylic acid Traditional Name: 8-(benzylthio)quinoline-5-carboxylic acid Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C3C(=C(C=C2)C(=O)O)C=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C3C(=C(C=C2)C(=O)O)C=CC=N3

InChI

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