5-[5-(2,5-dimethylphenyl)pent-4-ynyl]-5-(4-iodophenyl)sulfonyl-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[5-(2,5-dimethylphenyl)pent-4-ynyl]-5-(4-iodophenyl)sulfonyl-1,3-thiazolidine-2,4-dione Openeye Name: 5-[5-(2,5-dimethylphenyl)pent-4-ynyl]-5-(4-iodophenyl)sulfonyl-thiazolidine-2,4-dione CAS Name: 5-[5-(2,5-dimethylphenyl)pent-4-ynyl]-5-(4-iodophenyl)sulfonylthiazolidine-2,4-dione IUPAC Name: 5-[5-(2,5-dimethylphenyl)pent-4-ynyl]-5-(4-iodophenyl)sulfonyl-1,3-thiazolidine-2,4-dione Traditional Name: 5-[5-(2,5-dimethylphenyl)pent-4-ynyl]-5-(4-iodophenyl)sulfonyl-thiazolidine-2,4-quinone Formula: C22H20INO4S2 MolecularWeight: 553.43297

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C#CCCCC2(C(=O)NC(=O)S2)S(=O)(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CC1=CC(=C(C=C1)C)C#CCCCC2(C(=O)NC(=O)S2)S(=O)(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C22H20INO4S2/c1-15-7-8-16(2)17(14-15)6-4-3-5-13-22(20(25)24-21(26)29-22)30(27,28)19-11-9-18(23)10-12-19/h7-12,14H,3,5,13H2,1-2H3,(H,24,25,26)