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

Systemtic Name: 1-(4-ethoxyphenyl)-3-[(4-ethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-ethoxyphenyl)-3-(4-ethylanilino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-ethoxyphenyl)-3-(4-ethylanilino)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(4-ethoxyphenyl)-3-(4-ethylanilino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(4-ethylanilino)-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:

CCC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OCC)SC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OCC)SC4=CC=C(C=C4)C

InChI

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