2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-chlorophenyl)methylthio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-chlorobenzyl)thio]ethyl]isoindoline-1,3-quinone Formula: C17H14ClNO2S MolecularWeight: 331.81656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClNO2S/c18-13-7-5-12(6-8-13)11-22-10-9-19-16(20)14-3-1-2-4-15(14)17(19)21/h1-8H,9-11H2