5-nitro-2-(pyridin-4-ylsulfanylmethyl)isoindole-1,3-dione

Systemtic Name: 5-nitro-2-(pyridin-4-ylsulfanylmethyl)isoindole-1,3-dione Openeye Name: 5-nitro-2-(4-pyridylsulfanylmethyl)isoindoline-1,3-dione CAS Name: 5-nitro-2-[(pyridin-4-ylthio)methyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-(pyridin-4-ylsulfanylmethyl)isoindole-1,3-dione Traditional Name: 5-nitro-2-[(4-pyridylthio)methyl]isoindoline-1,3-quinone Formula: C14H9N3O4S MolecularWeight: 315.30396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CSC3=CC=NC=C3

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CSC3=CC=NC=C3

InChI

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