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

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

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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(=C4C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)NC4=CC=CC(=C4C)C

InChI

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