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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(3,5-dimethylphenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(3,5-dimethylanilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(3,5-dimethylanilino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(3,5-dimethylanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(3,5-dimethylanilino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C24H18ClFN2O2S MolecularWeight: 452.928323

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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)F)Cl)SC4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C24H18ClFN2O2S/c1-14-10-15(2)12-16(11-14)27-21-22(31-18-6-4-3-5-7-18)24(30)28(23(21)29)17-8-9-20(26)19(25)13-17/h3-13,27H,1-2H3