2-[2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(5-phenylisoxazol-3-yl)methylsulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(5-phenyl-3-isoxazolyl)methylthio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(5-phenylisoxazol-3-yl)methylthio]ethyl]isoindoline-1,3-quinone Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)CSCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)CSCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H16N2O3S/c23-19-16-8-4-5-9-17(16)20(24)22(19)10-11-26-13-15-12-18(25-21-15)14-6-2-1-3-7-14/h1-9,12H,10-11,13H2