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

Systemtic Name: (4E)-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-5-(4-ethylphenyl)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-ethylphenyl)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione CAS Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-ethylphenyl)-1-[5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-ethylphenyl)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione Traditional Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-ethylphenyl)-1-[5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-quinone Formula: C30H26FN3O3S2 MolecularWeight: 559.674143

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(C3=C(C=CC(=C3)C)C)O)C(=O)C(=O)N2C4=NN=C(S4)SCC5=CC=C(C=C5)F

Isomeric SMILES

CCC1=CC=C(C=C1)C2/C(=C(/C3=C(C=CC(=C3)C)C)\O)/C(=O)C(=O)N2C4=NN=C(S4)SCC5=CC=C(C=C5)F

InChI

InChI=1S/C30H26FN3O3S2/c1-4-19-7-11-21(12-8-19)25-24(26(35)23-15-17(2)5-6-18(23)3)27(36)28(37)34(25)29-32-33-30(39-29)38-16-20-9-13-22(31)14-10-20/h5-15,25,35H,4,16H2,1-3H3/b26-24+