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

Systemtic Name: 2-(4-pyridin-2-ylsulfanylbutyl)isoindole-1,3-dione Openeye Name: 2-[4-(2-pyridylsulfanyl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(2-pyridinylthio)butyl]isoindole-1,3-dione IUPAC Name: 2-(4-pyridin-2-ylsulfanylbutyl)isoindole-1,3-dione Traditional Name: 2-[4-(2-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=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=CC=CC=N3

InChI

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