2-(2-methylsulfanylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione

Systemtic Name: 2-(2-methylsulfanylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione Openeye Name: 2-(2-methylsulfanylphenyl)-5-(4-nitrophenoxy)isoindoline-1,3-dione CAS Name: 2-[2-(methylthio)phenyl]-5-(4-nitrophenoxy)isoindole-1,3-dione IUPAC Name: 2-(2-methylsulfanylphenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione Traditional Name: 2-[2-(methylthio)phenyl]-5-(4-nitrophenoxy)isoindoline-1,3-quinone Formula: C21H14N2O5S MolecularWeight: 406.41126

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O5S/c1-29-19-5-3-2-4-18(19)22-20(24)16-11-10-15(12-17(16)21(22)25)28-14-8-6-13(7-9-14)23(26)27/h2-12H,1H3