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

Systemtic Name: 2-(4-pyridin-4-ylsulfanylbutyl)-3H-isoindol-1-one Openeye Name: 2-[4-(4-pyridylsulfanyl)butyl]isoindolin-1-one CAS Name: 2-[4-(pyridin-4-ylthio)butyl]-3H-isoindol-1-one IUPAC Name: 2-(4-pyridin-4-ylsulfanylbutyl)-3H-isoindol-1-one Traditional Name: 2-[4-(4-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=NC=C3

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N1CCCCSC3=CC=NC=C3

InChI

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