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

Systemtic Name: (4E)-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-5-(furan-2-yl)-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-(2-furyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(2-furanyl)-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-(furan-2-yl)pyrrolidine-2,3-dione Traditional Name: (4E)-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(2-furyl)pyrrolidine-2,3-quinone Formula: C26H21N3O4S2 MolecularWeight: 503.59264

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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=CO5)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=CO5)/O

InChI

InChI=1S/C26H21N3O4S2/c1-15-10-11-16(2)18(13-15)22(30)20-21(19-9-6-12-33-19)29(24(32)23(20)31)25-27-28-26(35-25)34-14-17-7-4-3-5-8-17/h3-13,21,30H,14H2,1-2H3/b22-20+