5-[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfonyl-2-(2-methyl-4-nitro-phenyl)isoindole-1,3-dione

Systemtic Name: 5-[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfonyl-2-(2-methyl-4-nitro-phenyl)isoindole-1,3-dione Openeye Name: 5-[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfonyl-2-(2-methyl-4-nitro-phenyl)isoindoline-1,3-dione CAS Name: 5-[4-[(3,4-dimethylphenyl)thio]phenyl]sulfonyl-2-(2-methyl-4-nitrophenyl)isoindole-1,3-dione IUPAC Name: 5-[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfonyl-2-(2-methyl-4-nitrophenyl)isoindole-1,3-dione Traditional Name: 5-[4-[(3,4-dimethylphenyl)thio]phenyl]sulfonyl-2-(2-methyl-4-nitro-phenyl)isoindoline-1,3-quinone Formula: C29H22N2O6S2 MolecularWeight: 558.62478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)S(=O)(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=C(C=C(C=C5)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)S(=O)(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=C(C=C(C=C5)[N+](=O)[O-])C)C

InChI

InChI=1S/C29H22N2O6S2/c1-17-4-6-22(15-18(17)2)38-21-7-9-23(10-8-21)39(36,37)24-11-12-25-26(16-24)29(33)30(28(25)32)27-13-5-20(31(34)35)14-19(27)3/h4-16H,1-3H3