1-(3,5-dimethylphenyl)-3-[(2-ethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[(2-ethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(3,5-dimethylphenyl)-3-(2-ethylanilino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(3,5-dimethylphenyl)-3-(2-ethylanilino)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(3,5-dimethylphenyl)-3-(2-ethylanilino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(3,5-dimethylphenyl)-3-(2-ethylanilino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=O)N(C2=O)C3=CC(=CC(=C3)C)C)SC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=O)N(C2=O)C3=CC(=CC(=C3)C)C)SC4=CC=C(C=C4)C

InChI

InChI=1S/C27H26N2O2S/c1-5-20-8-6-7-9-23(20)28-24-25(32-22-12-10-17(2)11-13-22)27(31)29(26(24)30)21-15-18(3)14-19(4)16-21/h6-16,28H,5H2,1-4H3