1-(4-methylsulfonyl-2-nitro-phenyl)-2-(1,2,4-thiadiazol-3-yl)butane-1,3-dione

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-2-(1,2,4-thiadiazol-3-yl)butane-1,3-dione Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-2-(1,2,4-thiadiazol-3-yl)butane-1,3-dione CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)-2-(1,2,4-thiadiazol-3-yl)butane-1,3-dione IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)-2-(1,2,4-thiadiazol-3-yl)butane-1,3-dione Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-2-(1,2,4-thiadiazol-3-yl)butane-1,3-dione Formula: C13H11N3O6S2 MolecularWeight: 369.37294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=NSC=N1)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(C1=NSC=N1)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O6S2/c1-7(17)11(13-14-6-23-15-13)12(18)9-4-3-8(24(2,21)22)5-10(9)16(19)20/h3-6,11H,1-2H3