2-ethyl-4-(3-phenylpropylsulfanyl)isoindole-1,3-dione

Systemtic Name: 2-ethyl-4-(3-phenylpropylsulfanyl)isoindole-1,3-dione Openeye Name: 2-ethyl-4-(3-phenylpropylsulfanyl)isoindoline-1,3-dione CAS Name: 2-ethyl-4-(3-phenylpropylthio)isoindole-1,3-dione IUPAC Name: 2-ethyl-4-(3-phenylpropylsulfanyl)isoindole-1,3-dione Traditional Name: 2-ethyl-4-(3-phenylpropylthio)isoindoline-1,3-quinone Formula: C19H19NO2S MolecularWeight: 325.42466

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C1=O)C(=CC=C2)SCCCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=O)C2=C(C1=O)C(=CC=C2)SCCCC3=CC=CC=C3

InChI

InChI=1S/C19H19NO2S/c1-2-20-18(21)15-11-6-12-16(17(15)19(20)22)23-13-7-10-14-8-4-3-5-9-14/h3-6,8-9,11-12H,2,7,10,13H2,1H3