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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=CC=NC=C3

InChI

InChI=1S/C17H16N2O2S/c20-16-14-5-1-2-6-15(14)17(21)19(16)11-3-4-12-22-13-7-9-18-10-8-13/h1-2,5-10H,3-4,11-12H2