(4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-5-(4-phenylmethoxyphenyl)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-phenylmethoxyphenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-benzyloxyphenyl)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]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-phenylmethoxyphenyl)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-phenylmethoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-benzoxyphenyl)-1-[5-[(2,4-dichlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]pyrrolidine-2,3-quinone Formula: C35H27Cl2N3O4S2 MolecularWeight: 688.64258

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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)OCC6=CC=CC=C6)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)OCC6=CC=CC=C6)/O

InChI

InChI=1S/C35H27Cl2N3O4S2/c1-20-8-9-21(2)27(16-20)31(41)29-30(23-11-14-26(15-12-23)44-18-22-6-4-3-5-7-22)40(33(43)32(29)42)34-38-39-35(46-34)45-19-24-10-13-25(36)17-28(24)37/h3-17,30,41H,18-19H2,1-2H3/b31-29+