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

Systemtic Name: 3-[(3,5-dimethylphenyl)amino]-4-phenylsulfanyl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Openeye Name: 3-(3,5-dimethylanilino)-1-(4-isopropylphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(3,5-dimethylanilino)-4-(phenylthio)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione IUPAC Name: 3-(3,5-dimethylanilino)-4-phenylsulfanyl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Traditional Name: 3-(3,5-dimethylanilino)-1-p-cumenyl-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(C)C)SC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(C)C)SC4=CC=CC=C4)C

InChI

InChI=1S/C27H26N2O2S/c1-17(2)20-10-12-22(13-11-20)29-26(30)24(28-21-15-18(3)14-19(4)16-21)25(27(29)31)32-23-8-6-5-7-9-23/h5-17,28H,1-4H3