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

Systemtic Name: 1-(4-butylphenyl)-3-[methyl(phenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(N-methylanilino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(N-methylanilino)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(N-methylanilino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C28H28N2O2S MolecularWeight: 456.59912

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)N(C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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