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

Systemtic Name: (4E)-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-5-(3-methoxyphenyl)-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)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(3-methoxyphenyl)-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)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(3-methoxyphenyl)pyrrolidine-2,3-quinone Formula: C29H25N3O4S2 MolecularWeight: 543.6565

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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=CC=CC=C4)C5=CC(=CC=C5)OC)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)/C(=C\2/C(N(C(=O)C2=O)C3=NN=C(S3)SCC4=CC=CC=C4)C5=CC(=CC=C5)OC)/O

InChI

InChI=1S/C29H25N3O4S2/c1-17-12-13-18(2)22(14-17)25(33)23-24(20-10-7-11-21(15-20)36-3)32(27(35)26(23)34)28-30-31-29(38-28)37-16-19-8-5-4-6-9-19/h4-15,24,33H,16H2,1-3H3/b25-23+