4-(phenylmethylsulfanyl)-2-propyl-isoindole-1,3-dione

Systemtic Name: 4-(phenylmethylsulfanyl)-2-propyl-isoindole-1,3-dione Openeye Name: 4-benzylsulfanyl-2-propyl-isoindoline-1,3-dione CAS Name: 4-(phenylmethylthio)-2-propylisoindole-1,3-dione IUPAC Name: 4-benzylsulfanyl-2-propylisoindole-1,3-dione Traditional Name: 4-(benzylthio)-2-propyl-isoindoline-1,3-quinone Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C1=O)C(=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)C2=C(C1=O)C(=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C18H17NO2S/c1-2-11-19-17(20)14-9-6-10-15(16(14)18(19)21)22-12-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3