2-(2-methylsulfanylphenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(2-methylsulfanylphenyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(2-methylsulfanylphenyl)-4H-isoquinoline-1,3-dione CAS Name: 2-[2-(methylthio)phenyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-(2-methylsulfanylphenyl)-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-(methylthio)phenyl]-4H-isoquinoline-1,3-quinone Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CSC1=CC=CC=C1N2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H13NO2S/c1-20-14-9-5-4-8-13(14)17-15(18)10-11-6-2-3-7-12(11)16(17)19/h2-9H,10H2,1H3