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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N1C(=O)C2=CC=CC=C2C1=O)SC3=CC=NC=C3

Isomeric SMILES

CCCC(N1C(=O)C2=CC=CC=C2C1=O)SC3=CC=NC=C3

InChI

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