2-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[[2-(p-tolyl)oxazol-4-yl]methylsulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[2-(4-methylphenyl)-4-oxazolyl]methylthio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[2-(p-tolyl)oxazol-4-yl]methylthio]ethyl]isoindoline-1,3-quinone Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CO2)CSCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CO2)CSCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18N2O3S/c1-14-6-8-15(9-7-14)19-22-16(12-26-19)13-27-11-10-23-20(24)17-4-2-3-5-18(17)21(23)25/h2-9,12H,10-11,13H2,1H3