4-(4-pyridin-4-ylsulfanylbutyl)isoindole-1,3-dione

Systemtic Name: 4-(4-pyridin-4-ylsulfanylbutyl)isoindole-1,3-dione Openeye Name: 4-[4-(4-pyridylsulfanyl)butyl]isoindoline-1,3-dione CAS Name: 4-[4-(pyridin-4-ylthio)butyl]isoindole-1,3-dione IUPAC Name: 4-(4-pyridin-4-ylsulfanylbutyl)isoindole-1,3-dione Traditional Name: 4-[4-(4-pyridylthio)butyl]isoindoline-1,3-quinone Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CCCCSC3=CC=NC=C3)C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C(=C1)CCCCSC3=CC=NC=C3)C(=O)NC2=O

InChI

InChI=1S/C17H16N2O2S/c20-16-14-6-3-5-12(15(14)17(21)19-16)4-1-2-11-22-13-7-9-18-10-8-13/h3,5-10H,1-2,4,11H2,(H,19,20,21)