2-[2-[(3-bromophenyl)methylsulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(3-bromophenyl)methylsulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(3-bromophenyl)methylsulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(3-bromophenyl)methylthio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(3-bromophenyl)methylsulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(3-bromobenzyl)thio]ethyl]isoindoline-1,3-quinone Formula: C17H14BrNO2S MolecularWeight: 376.26756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSCC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSCC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H14BrNO2S/c18-13-5-3-4-12(10-13)11-22-9-8-19-16(20)14-6-1-2-7-15(14)17(19)21/h1-7,10H,8-9,11H2