2-butylsulfanylisoindole-1,3-dione

Systemtic Name: 2-butylsulfanylisoindole-1,3-dione Openeye Name: 2-butylsulfanylisoindoline-1,3-dione CAS Name: 2-(butylthio)isoindole-1,3-dione IUPAC Name: 2-butylsulfanylisoindole-1,3-dione Traditional Name: 2-(butylthio)isoindoline-1,3-quinone Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCCSN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C12H13NO2S/c1-2-3-8-16-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,2-3,8H2,1H3