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

Systemtic Name: 5-nitro-2-(pyridin-2-ylsulfanylmethyl)isoindole-1,3-dione Openeye Name: 5-nitro-2-(2-pyridylsulfanylmethyl)isoindoline-1,3-dione CAS Name: 5-nitro-2-[(2-pyridinylthio)methyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-(pyridin-2-ylsulfanylmethyl)isoindole-1,3-dione Traditional Name: 5-nitro-2-[(2-pyridylthio)methyl]isoindoline-1,3-quinone Formula: C14H9N3O4S MolecularWeight: 315.30396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)SCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O4S/c18-13-10-5-4-9(17(20)21)7-11(10)14(19)16(13)8-22-12-3-1-2-6-15-12/h1-7H,8H2