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

Systemtic Name: (4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione CAS Name: (4E)-1-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-1-[5-[(2,4-dichlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-fluorophenyl)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=C(C=C(C=C4)Cl)Cl)C5=CC=C(C=C5)F)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)/C(=C\2/C(N(C(=O)C2=O)C3=NN=C(S3)SCC4=C(C=C(C=C4)Cl)Cl)C5=CC=C(C=C5)F)/O

InChI

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