6-(phenylmethylsulfanyl)quinoline-5,8-dione

Systemtic Name: 6-(phenylmethylsulfanyl)quinoline-5,8-dione Openeye Name: 6-benzylsulfanylquinoline-5,8-dione CAS Name: 6-(phenylmethylthio)quinoline-5,8-dione IUPAC Name: 6-benzylsulfanylquinoline-5,8-dione Traditional Name: 6-(benzylthio)quinoline-5,8-quinone Formula: C16H11NO2S MolecularWeight: 281.32904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=O)C3=C(C2=O)C=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=O)C3=C(C2=O)C=CC=N3

InChI

InChI=1S/C16H11NO2S/c18-13-9-14(20-10-11-5-2-1-3-6-11)16(19)12-7-4-8-17-15(12)13/h1-9H,10H2