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

Systemtic Name: 2-(4-pyridin-2-ylsulfanylbutyl)-3H-isoindol-1-one Openeye Name: 2-[4-(2-pyridylsulfanyl)butyl]isoindolin-1-one CAS Name: 2-[4-(2-pyridinylthio)butyl]-3H-isoindol-1-one IUPAC Name: 2-(4-pyridin-2-ylsulfanylbutyl)-3H-isoindol-1-one Traditional Name: 2-[4-(2-pyridylthio)butyl]isoindolin-1-one Formula: C17H18N2OS MolecularWeight: 298.40262

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N1CCCCSC3=CC=CC=N3

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N1CCCCSC3=CC=CC=N3

InChI

InChI=1S/C17H18N2OS/c20-17-15-8-2-1-7-14(15)13-19(17)11-5-6-12-21-16-9-3-4-10-18-16/h1-4,7-10H,5-6,11-13H2