2-(3-methylsulfanylpropyl)-5-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(3-methylsulfanylpropyl)-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(3-methylsulfanylpropyl)-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-(methylthio)propyl]-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(3-methylsulfanylpropyl)-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-(methylthio)propyl]-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-]

Isomeric SMILES

CSCCCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O4S/c1-23-7-3-6-17-15(19)12-5-2-4-10-8-11(18(21)22)9-13(14(10)12)16(17)20/h2,4-5,8-9H,3,6-7H2,1H3