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

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[(4-ethoxyphenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(3,5-dimethylphenyl)-3-(4-ethoxyanilino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(3,5-dimethylphenyl)-3-(4-ethoxyanilino)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(3,5-dimethylphenyl)-3-(4-ethoxyanilino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(3,5-dimethylphenyl)-3-(p-phenetidino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C27H26N2O3S MolecularWeight: 458.57194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC(=CC(=C3)C)C)SC4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC(=CC(=C3)C)C)SC4=CC=C(C=C4)C

InChI

InChI=1S/C27H26N2O3S/c1-5-32-22-10-8-20(9-11-22)28-24-25(33-23-12-6-17(2)7-13-23)27(31)29(26(24)30)21-15-18(3)14-19(4)16-21/h6-16,28H,5H2,1-4H3