(4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-5-pyridin-3-yl-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-pyridin-3-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(3-pyridyl)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-(3-pyridinyl)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-pyridin-3-ylpyrrolidine-2,3-dione Traditional Name: (4E)-1-[5-[(2,4-dichlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(3-pyridyl)pyrrolidine-2,3-quinone Formula: C27H20Cl2N4O3S2 MolecularWeight: 583.5087

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=CN=CC=C5)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=CN=CC=C5)/O

InChI

InChI=1S/C27H20Cl2N4O3S2/c1-14-5-6-15(2)19(10-14)23(34)21-22(16-4-3-9-30-12-16)33(25(36)24(21)35)26-31-32-27(38-26)37-13-17-7-8-18(28)11-20(17)29/h3-12,22,34H,13H2,1-2H3/b23-21+