1-(2,3-dimethylphenyl)-3-[(3,5-dimethylphenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[(3,5-dimethylphenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC(=CC(=C4)C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC(=CC(=C4)C)C)C

InChI

InChI=1S/C26H24N2O2S/c1-16-13-17(2)15-20(14-16)27-23-24(31-21-10-6-5-7-11-21)26(30)28(25(23)29)22-12-8-9-18(3)19(22)4/h5-15,27H,1-4H3