2-(2-methylsulfanylphenyl)-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-(2-methylsulfanylphenyl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(2-methylsulfanylphenyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(methylthio)phenyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-(2-methylsulfanylphenyl)-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(methylthio)phenyl]-4-nitro-isoindoline-1,3-quinone Formula: C15H10N2O4S MolecularWeight: 314.3159

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O4S/c1-22-12-8-3-2-6-10(12)16-14(18)9-5-4-7-11(17(20)21)13(9)15(16)19/h2-8H,1H3