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

Systemtic Name: 3-[(3,4-dimethylphenyl)amino]-4-(4-methylphenyl)sulfanyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(3,4-dimethylanilino)-1-phenethyl-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(3,4-dimethylanilino)-4-[(4-methylphenyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(3,4-dimethylanilino)-4-(4-methylphenyl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(3,4-dimethylanilino)-1-phenethyl-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NC4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NC4=CC(=C(C=C4)C)C

InChI

InChI=1S/C27H26N2O2S/c1-18-9-13-23(14-10-18)32-25-24(28-22-12-11-19(2)20(3)17-22)26(30)29(27(25)31)16-15-21-7-5-4-6-8-21/h4-14,17,28H,15-16H2,1-3H3