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

Systemtic Name: 3-[(3,5-dimethylphenyl)amino]-1-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(3,5-dimethylanilino)-1-(4-ethoxyphenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(3,5-dimethylanilino)-1-(4-ethoxyphenyl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(3,5-dimethylanilino)-1-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(3,5-dimethylanilino)-1-p-phenetyl-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)NC4=CC(=CC(=C4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)NC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C27H26N2O3S/c1-5-32-22-10-8-21(9-11-22)29-26(30)24(28-20-15-18(3)14-19(4)16-20)25(27(29)31)33-23-12-6-17(2)7-13-23/h6-16,28H,5H2,1-4H3