3-oxidanyl-2-(3-pyridin-2-ylsulfanylpropyl)-3H-isoindol-1-one

Systemtic Name: 3-oxidanyl-2-(3-pyridin-2-ylsulfanylpropyl)-3H-isoindol-1-one Openeye Name: 3-hydroxy-2-[3-(2-pyridylsulfanyl)propyl]isoindolin-1-one CAS Name: 3-hydroxy-2-[3-(2-pyridinylthio)propyl]-3H-isoindol-1-one IUPAC Name: 3-hydroxy-2-(3-pyridin-2-ylsulfanylpropyl)-3H-isoindol-1-one Traditional Name: 3-hydroxy-2-[3-(2-pyridylthio)propyl]isoindolin-1-one Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(N(C2=O)CCCSC3=CC=CC=N3)O

Isomeric SMILES

C1=CC=C2C(=C1)C(N(C2=O)CCCSC3=CC=CC=N3)O

InChI

InChI=1S/C16H16N2O2S/c19-15-12-6-1-2-7-13(12)16(20)18(15)10-5-11-21-14-8-3-4-9-17-14/h1-4,6-9,15,19H,5,10-11H2