2-[(5-nitropyridin-2-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(5-nitropyridin-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(5-nitro-2-pyridyl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(5-nitro-2-pyridinyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(5-nitropyridin-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(5-nitro-2-pyridyl)thio]methyl]isoindoline-1,3-quinone Formula: C14H9N3O4S MolecularWeight: 315.30396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC=C(C=C3)[N+](=O)[O-]

InChI

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