2-(3-nitro-5-pyridin-2-ylsulfanyl-phenyl)isoindole-1,3-dione

Systemtic Name: 2-(3-nitro-5-pyridin-2-ylsulfanyl-phenyl)isoindole-1,3-dione Openeye Name: 2-[3-nitro-5-(2-pyridylsulfanyl)phenyl]isoindoline-1,3-dione CAS Name: 2-[3-nitro-5-(2-pyridinylthio)phenyl]isoindole-1,3-dione IUPAC Name: 2-(3-nitro-5-pyridin-2-ylsulfanylphenyl)isoindole-1,3-dione Traditional Name: 2-[3-nitro-5-(2-pyridylthio)phenyl]isoindoline-1,3-quinone Formula: C19H11N3O4S MolecularWeight: 377.37334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=CC(=C3)SC4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=CC(=C3)SC4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H11N3O4S/c23-18-15-5-1-2-6-16(15)19(24)21(18)12-9-13(22(25)26)11-14(10-12)27-17-7-3-4-8-20-17/h1-11H