3-[ethyl(phenyl)amino]-4-(4-methylphenyl)sulfanyl-1-phenethyl-pyrrole-2,5-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=CC=C(C=C4)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=CC=C(C=C4)C

InChI

InChI=1S/C27H26N2O2S/c1-3-28(22-12-8-5-9-13-22)24-25(32-23-16-14-20(2)15-17-23)27(31)29(26(24)30)19-18-21-10-6-4-7-11-21/h4-17H,3,18-19H2,1-2H3