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

Systemtic Name: 2-(4-pyridin-3-ylsulfanylbutyl)isoindole-1,3-dione Openeye Name: 2-[4-(3-pyridylsulfanyl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(3-pyridinylthio)butyl]isoindole-1,3-dione IUPAC Name: 2-(4-pyridin-3-ylsulfanylbutyl)isoindole-1,3-dione Traditional Name: 2-[4-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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