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

Systemtic Name: 5-(4-iodophenyl)sulfonyl-5-[5-(2-methyl-4-nitro-phenyl)pent-4-ynyl]-1,3-thiazolidine-2,4-dione Openeye Name: 5-(4-iodophenyl)sulfonyl-5-[5-(2-methyl-4-nitro-phenyl)pent-4-ynyl]thiazolidine-2,4-dione CAS Name: 5-(4-iodophenyl)sulfonyl-5-[5-(2-methyl-4-nitrophenyl)pent-4-ynyl]thiazolidine-2,4-dione IUPAC Name: 5-(4-iodophenyl)sulfonyl-5-[5-(2-methyl-4-nitrophenyl)pent-4-ynyl]-1,3-thiazolidine-2,4-dione Traditional Name: 5-(4-iodophenyl)sulfonyl-5-[5-(2-methyl-4-nitro-phenyl)pent-4-ynyl]thiazolidine-2,4-quinone Formula: C21H17IN2O6S2 MolecularWeight: 584.40395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])C#CCCCC2(C(=O)NC(=O)S2)S(=O)(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])C#CCCCC2(C(=O)NC(=O)S2)S(=O)(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C21H17IN2O6S2/c1-14-13-17(24(27)28)9-6-15(14)5-3-2-4-12-21(19(25)23-20(26)31-21)32(29,30)18-10-7-16(22)8-11-18/h6-11,13H,2,4,12H2,1H3,(H,23,25,26)