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

Systemtic Name: (4E)-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-5-(4-fluorophenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-fluorophenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione CAS Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-[5-[(2-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione Traditional Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-1-[5-[(2-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-(4-fluorophenyl)pyrrolidine-2,3-quinone Formula: C28H21F2N3O3S2 MolecularWeight: 549.611446

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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)F)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)F)/O

InChI

InChI=1S/C28H21F2N3O3S2/c1-15-7-8-16(2)20(13-15)24(34)22-23(17-9-11-19(29)12-10-17)33(26(36)25(22)35)27-31-32-28(38-27)37-14-18-5-3-4-6-21(18)30/h3-13,23,34H,14H2,1-2H3/b24-22+