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

Systemtic Name: 2-(3-methylsulfanylpropyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(3-methylsulfanylpropyl)-4H-isoquinoline-1,3-dione CAS Name: 2-[3-(methylthio)propyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3-methylsulfanylpropyl)-4H-isoquinoline-1,3-dione Traditional Name: 2-[3-(methylthio)propyl]-4H-isoquinoline-1,3-quinone Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCN1C(=O)CC2=CC=CC=C2C1=O

Isomeric SMILES

CSCCCN1C(=O)CC2=CC=CC=C2C1=O

InChI

InChI=1S/C13H15NO2S/c1-17-8-4-7-14-12(15)9-10-5-2-3-6-11(10)13(14)16/h2-3,5-6H,4,7-9H2,1H3