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

Systemtic Name: (4E)-5-(4-butoxyphenyl)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-butoxyphenyl)-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)-5-(4-butoxyphenyl)-1-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(4-butoxyphenyl)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-butoxyphenyl)-1-[5-[(2,4-dichlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]pyrrolidine-2,3-quinone Formula: C32H29Cl2N3O4S2 MolecularWeight: 654.62636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(C3=C(C=CC(=C3)C)C)O)C(=O)C(=O)N2C4=NN=C(S4)SCC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2/C(=C(/C3=C(C=CC(=C3)C)C)\O)/C(=O)C(=O)N2C4=NN=C(S4)SCC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C32H29Cl2N3O4S2/c1-4-5-14-41-23-12-9-20(10-13-23)27-26(28(38)24-15-18(2)6-7-19(24)3)29(39)30(40)37(27)31-35-36-32(43-31)42-17-21-8-11-22(33)16-25(21)34/h6-13,15-16,27,38H,4-5,14,17H2,1-3H3/b28-26+