2-(3-pyridin-4-ylsulfanylpropyl)isoindole-1,3-dione

Systemtic Name: 2-(3-pyridin-4-ylsulfanylpropyl)isoindole-1,3-dione Openeye Name: 2-[3-(4-pyridylsulfanyl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-(pyridin-4-ylthio)propyl]isoindole-1,3-dione IUPAC Name: 2-(3-pyridin-4-ylsulfanylpropyl)isoindole-1,3-dione Traditional Name: 2-[3-(4-pyridylthio)propyl]isoindoline-1,3-quinone Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=CC=NC=C3

InChI

InChI=1S/C16H14N2O2S/c19-15-13-4-1-2-5-14(13)16(20)18(15)10-3-11-21-12-6-8-17-9-7-12/h1-2,4-9H,3,10-11H2