2-[3-(4-nitrophenyl)sulfanylpropyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(4-nitrophenyl)sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-(4-nitrophenyl)sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[(4-nitrophenyl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(4-nitrophenyl)sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[(4-nitrophenyl)thio]propyl]isoindoline-1,3-quinone Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O4S/c20-16-14-4-1-2-5-15(14)17(21)18(16)10-3-11-24-13-8-6-12(7-9-13)19(22)23/h1-2,4-9H,3,10-11H2