(4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-5-(4-prop-2-enoxyphenyl)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-prop-2-enoxyphenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-allyloxyphenyl)-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-prop-2-enoxyphenyl)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-prop-2-enoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-allyloxyphenyl)-1-[5-[(2,4-dichlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]pyrrolidine-2,3-quinone Formula: C31H25Cl2N3O4S2 MolecularWeight: 638.5839

Click to see the large picture

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)OCC=C)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)OCC=C)/O

InChI

InChI=1S/C31H25Cl2N3O4S2/c1-4-13-40-22-11-8-19(9-12-22)26-25(27(37)23-14-17(2)5-6-18(23)3)28(38)29(39)36(26)30-34-35-31(42-30)41-16-20-7-10-21(32)15-24(20)33/h4-12,14-15,26,37H,1,13,16H2,2-3H3/b27-25+