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

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-2-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)butane-1,3-dione Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-2-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)butane-1,3-dione CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)-2-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)butane-1,3-dione IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)-2-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)butane-1,3-dione Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-2-(5-mesyl-1,3,4-thiadiazol-2-yl)butane-1,3-dione Formula: C14H13N3O8S3 MolecularWeight: 447.46332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=NN=C(S1)S(=O)(=O)C)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(C1=NN=C(S1)S(=O)(=O)C)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O8S3/c1-7(18)11(13-15-16-14(26-13)28(3,24)25)12(19)9-5-4-8(27(2,22)23)6-10(9)17(20)21/h4-6,11H,1-3H3