2-[(4-methylsulfanylphenyl)methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(4-methylsulfanylphenyl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(4-methylsulfanylphenyl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-(methylthio)phenyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(4-methylsulfanylphenyl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[4-(methylthio)benzyl]-5-nitro-isoindoline-1,3-quinone Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4S/c1-23-12-5-2-10(3-6-12)9-17-15(19)13-7-4-11(18(21)22)8-14(13)16(17)20/h2-8H,9H2,1H3