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

Systemtic Name: 1-(4-ethylphenyl)-3-[ethyl(phenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(N-ethylanilino)-1-(4-ethylphenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(N-ethylanilino)-1-(4-ethylphenyl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(N-ethylanilino)-1-(4-ethylphenyl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(N-ethylanilino)-1-(4-ethylphenyl)-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=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N(CC)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N(CC)C4=CC=CC=C4

InChI

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