2-(5-phenylsulfanylpentyl)isoindole-1,3-dione

Systemtic Name: 2-(5-phenylsulfanylpentyl)isoindole-1,3-dione Openeye Name: 2-(5-phenylsulfanylpentyl)isoindoline-1,3-dione CAS Name: 2-[5-(phenylthio)pentyl]isoindole-1,3-dione IUPAC Name: 2-(5-phenylsulfanylpentyl)isoindole-1,3-dione Traditional Name: 2-[5-(phenylthio)pentyl]isoindoline-1,3-quinone Formula: C19H19NO2S MolecularWeight: 325.42466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)SCCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H19NO2S/c21-18-16-11-5-6-12-17(16)19(22)20(18)13-7-2-8-14-23-15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2