(4E)-5-(3,4-dichlorophenyl)-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione

Systemtic Name: (4E)-5-(3,4-dichlorophenyl)-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(3,4-dichlorophenyl)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione CAS Name: (4E)-5-(3,4-dichlorophenyl)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-1-[5-[(2-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(3,4-dichlorophenyl)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(3,4-dichlorophenyl)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-1-[5-[(2-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-quinone Formula: C28H20Cl2FN3O3S2 MolecularWeight: 600.511103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=C2C(N(C(=O)C2=O)C3=NN=C(S3)SCC4=CC=CC=C4F)C5=CC(=C(C=C5)Cl)Cl)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)/C(=C\2/C(N(C(=O)C2=O)C3=NN=C(S3)SCC4=CC=CC=C4F)C5=CC(=C(C=C5)Cl)Cl)/O

InChI

InChI=1S/C28H20Cl2FN3O3S2/c1-14-7-8-15(2)18(11-14)24(35)22-23(16-9-10-19(29)20(30)12-16)34(26(37)25(22)36)27-32-33-28(39-27)38-13-17-5-3-4-6-21(17)31/h3-12,23,35H,13H2,1-2H3/b24-22+