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

Systemtic Name: (4E)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-isopropylphenyl)pyrrolidine-2,3-dione CAS Name: (4E)-1-[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-1-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-p-cumenyl-pyrrolidine-2,3-quinone Formula: C31H28ClN3O3S2 MolecularWeight: 590.15532

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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=C(C=C4)Cl)C5=CC=C(C=C5)C(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C31H28ClN3O3S2/c1-17(2)21-9-11-22(12-10-21)26-25(27(36)24-15-18(3)5-6-19(24)4)28(37)29(38)35(26)30-33-34-31(40-30)39-16-20-7-13-23(32)14-8-20/h5-15,17,26,36H,16H2,1-4H3/b27-25+