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

Systemtic Name: (4E)-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-1-[5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-1-[5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-(4-propoxyphenyl)pyrrolidine-2,3-quinone Formula: C31H28FN3O4S2 MolecularWeight: 589.700123

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=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

CCCOC1=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/C31H28FN3O4S2/c1-4-15-39-23-13-9-21(10-14-23)26-25(27(36)24-16-18(2)5-6-19(24)3)28(37)29(38)35(26)30-33-34-31(41-30)40-17-20-7-11-22(32)12-8-20/h5-14,16,26,36H,4,15,17H2,1-3H3/b27-25+