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

Systemtic Name: 2-(3-sulfanylpropyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(3-sulfanylpropyl)-4H-isoquinoline-1,3-dione CAS Name: 2-(3-mercaptopropyl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3-sulfanylpropyl)-4H-isoquinoline-1,3-dione Traditional Name: 2-(3-mercaptopropyl)-4H-isoquinoline-1,3-quinone Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CCCS

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CCCS

InChI

InChI=1S/C12H13NO2S/c14-11-8-9-4-1-2-5-10(9)12(15)13(11)6-3-7-16/h1-2,4-5,16H,3,6-8H2