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

Systemtic Name: 1-(4-butylphenyl)-3-[(2-ethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(2-ethylanilino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(2-ethylanilino)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(2-ethylanilino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(2-ethylanilino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C29H30N2O2S MolecularWeight: 470.6257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)NC4=CC=CC=C4CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)NC4=CC=CC=C4CC

InChI

InChI=1S/C29H30N2O2S/c1-4-6-9-21-14-16-23(17-15-21)31-28(32)26(30-25-11-8-7-10-22(25)5-2)27(29(31)33)34-24-18-12-20(3)13-19-24/h7-8,10-19,30H,4-6,9H2,1-3H3