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

Systemtic Name: (4E)-5-(4-butoxyphenyl)-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione Openeye Name: (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-butoxyphenyl)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]pyrrolidine-2,3-dione CAS Name: (4E)-5-(4-butoxyphenyl)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione IUPAC Name: (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-butoxyphenyl)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-5-(4-butoxyphenyl)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]pyrrolidine-2,3-quinone Formula: C32H31N3O4S2 MolecularWeight: 585.73624

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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=CC=CC=C5

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=CC=CC=C5

InChI

InChI=1S/C32H31N3O4S2/c1-4-5-17-39-24-15-13-23(14-16-24)27-26(28(36)25-18-20(2)11-12-21(25)3)29(37)30(38)35(27)31-33-34-32(41-31)40-19-22-9-7-6-8-10-22/h6-16,18,27,36H,4-5,17,19H2,1-3H3/b28-26+