2-[3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]propyl]isoindoline-1,3-quinone Formula: C19H16ClNO4S MolecularWeight: 389.85264

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CSCCCN3C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CSCCCN3C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C19H16ClNO4S/c20-15-8-12(9-16-17(15)25-11-24-16)10-26-7-3-6-21-18(22)13-4-1-2-5-14(13)19(21)23/h1-2,4-5,8-9H,3,6-7,10-11H2