5-(3-methylsulfanylpropylamino)isoindole-1,3-dione

Systemtic Name: 5-(3-methylsulfanylpropylamino)isoindole-1,3-dione Openeye Name: 5-(3-methylsulfanylpropylamino)isoindoline-1,3-dione CAS Name: 5-[3-(methylthio)propylamino]isoindole-1,3-dione IUPAC Name: 5-(3-methylsulfanylpropylamino)isoindole-1,3-dione Traditional Name: 5-[3-(methylthio)propylamino]isoindoline-1,3-quinone Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC1=CC2=C(C=C1)C(=O)NC2=O

Isomeric SMILES

CSCCCNC1=CC2=C(C=C1)C(=O)NC2=O

InChI

InChI=1S/C12H14N2O2S/c1-17-6-2-5-13-8-3-4-9-10(7-8)12(16)14-11(9)15/h3-4,7,13H,2,5-6H2,1H3,(H,14,15,16)