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

Systemtic Name: 2-[4-(4-nitrophenyl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-nitrophenyl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(4-nitrophenyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-nitrophenyl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(4-nitrophenyl)thio]butyl]isoindoline-1,3-quinone Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O4S/c21-17-15-5-1-2-6-16(15)18(22)19(17)11-3-4-12-25-14-9-7-13(8-10-14)20(23)24/h1-2,5-10H,3-4,11-12H2