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

Systemtic Name: (4E)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione CAS Name: (4E)-1-[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-1-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-quinone Formula: C28H22ClN3O4S2 MolecularWeight: 564.07498

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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=C(C=C4)Cl)C5=CC(=CC=C5)O)O

Isomeric SMILES

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

InChI

InChI=1S/C28H22ClN3O4S2/c1-15-6-7-16(2)21(12-15)24(34)22-23(18-4-3-5-20(33)13-18)32(26(36)25(22)35)27-30-31-28(38-27)37-14-17-8-10-19(29)11-9-17/h3-13,23,33-34H,14H2,1-2H3/b24-22+