1-cyclopropyl-3-(4-methylsulfonyl-2-nitro-phenyl)-2-(2-methyl-1,2,3,4-tetrazol-5-yl)propane-1,3-dione

Systemtic Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitro-phenyl)-2-(2-methyl-1,2,3,4-tetrazol-5-yl)propane-1,3-dione Openeye Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitro-phenyl)-2-(2-methyltetrazol-5-yl)propane-1,3-dione CAS Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitrophenyl)-2-(2-methyl-5-tetrazolyl)propane-1,3-dione IUPAC Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitrophenyl)-2-(2-methyltetrazol-5-yl)propane-1,3-dione Traditional Name: 1-cyclopropyl-3-(4-mesyl-2-nitro-phenyl)-2-(2-methyltetrazol-5-yl)propane-1,3-dione Formula: C15H15N5O6S MolecularWeight: 393.3745

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Descriptors Computed from Structure

Canonical SMILES:

CN1N=C(N=N1)C(C(=O)C2CC2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN1N=C(N=N1)C(C(=O)C2CC2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O6S/c1-19-17-15(16-18-19)12(13(21)8-3-4-8)14(22)10-6-5-9(27(2,25)26)7-11(10)20(23)24/h5-8,12H,3-4H2,1-2H3