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

Systemtic Name: 4-(1-pyridin-2-ylsulfanylbutyl)isoindole-1,3-dione Openeye Name: 4-[1-(2-pyridylsulfanyl)butyl]isoindoline-1,3-dione CAS Name: 4-[1-(2-pyridinylthio)butyl]isoindole-1,3-dione IUPAC Name: 4-(1-pyridin-2-ylsulfanylbutyl)isoindole-1,3-dione Traditional Name: 4-[1-(2-pyridylthio)butyl]isoindoline-1,3-quinone Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC2=C1C(=O)NC2=O)SC3=CC=CC=N3

Isomeric SMILES

CCCC(C1=CC=CC2=C1C(=O)NC2=O)SC3=CC=CC=N3

InChI

InChI=1S/C17H16N2O2S/c1-2-6-13(22-14-9-3-4-10-18-14)11-7-5-8-12-15(11)17(21)19-16(12)20/h3-5,7-10,13H,2,6H2,1H3,(H,19,20,21)