2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(3,5-dimethyl-4-isoxazolyl)methylthio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(3,5-dimethylisoxazol-4-yl)methylthio]butyl]isoindoline-1,3-quinone Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C(=NO1)C)CSCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H20N2O3S/c1-12-16(13(2)23-19-12)11-24-10-6-5-9-20-17(21)14-7-3-4-8-15(14)18(20)22/h3-4,7-8H,5-6,9-11H2,1-2H3