2-(4-quinolin-2-ylsulfanylbutyl)isoindole-1,3-dione

Systemtic Name: 2-(4-quinolin-2-ylsulfanylbutyl)isoindole-1,3-dione Openeye Name: 2-[4-(2-quinolylsulfanyl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(2-quinolinylthio)butyl]isoindole-1,3-dione IUPAC Name: 2-(4-quinolin-2-ylsulfanylbutyl)isoindole-1,3-dione Traditional Name: 2-[4-(2-quinolylthio)butyl]isoindoline-1,3-quinone Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18N2O2S/c24-20-16-8-2-3-9-17(16)21(25)23(20)13-5-6-14-26-19-12-11-15-7-1-4-10-18(15)22-19/h1-4,7-12H,5-6,13-14H2