1-(4-methylsulfonyl-2-nitro-phenyl)-2-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,3-dione

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-2-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,3-dione Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-2-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,3-dione CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)-2-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,3-dione IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)-2-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,3-dione Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-2-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,3-dione Formula: C14H13N3O6S2 MolecularWeight: 383.39952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=N1)C(C(=O)C)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NSC(=N1)C(C(=O)C)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O6S2/c1-7(18)12(14-15-8(2)16-24-14)13(19)10-5-4-9(25(3,22)23)6-11(10)17(20)21/h4-6,12H,1-3H3