1-(4-butylphenyl)-3-[ethyl(phenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3-[ethyl(phenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(N-ethylanilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(N-ethylanilino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(N-ethylanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(N-ethylanilino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C28H28N2O2S MolecularWeight: 456.59912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N(CC)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N(CC)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O2S/c1-3-5-12-21-17-19-23(20-18-21)30-27(31)25(29(4-2)22-13-8-6-9-14-22)26(28(30)32)33-24-15-10-7-11-16-24/h6-11,13-20H,3-5,12H2,1-2H3