3-oxidanyl-2-(4-pyridin-4-ylsulfanylbutyl)-3H-isoindol-1-one

Systemtic Name: 3-oxidanyl-2-(4-pyridin-4-ylsulfanylbutyl)-3H-isoindol-1-one Openeye Name: 3-hydroxy-2-[4-(4-pyridylsulfanyl)butyl]isoindolin-1-one CAS Name: 3-hydroxy-2-[4-(pyridin-4-ylthio)butyl]-3H-isoindol-1-one IUPAC Name: 3-hydroxy-2-(4-pyridin-4-ylsulfanylbutyl)-3H-isoindol-1-one Traditional Name: 3-hydroxy-2-[4-(4-pyridylthio)butyl]isoindolin-1-one Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2S/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/h1-2,5-10,16,20H,3-4,11-12H2