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

Systemtic Name: 1-(2-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopropyl-2-(2-methyl-1,2,3,4-tetrazol-5-yl)propane-1,3-dione Openeye Name: 1-(2-chloro-4-methylsulfonyl-phenyl)-3-cyclopropyl-2-(2-methyltetrazol-5-yl)propane-1,3-dione CAS Name: 1-(2-chloro-4-methylsulfonylphenyl)-3-cyclopropyl-2-(2-methyl-5-tetrazolyl)propane-1,3-dione IUPAC Name: 1-(2-chloro-4-methylsulfonylphenyl)-3-cyclopropyl-2-(2-methyltetrazol-5-yl)propane-1,3-dione Traditional Name: 1-(2-chloro-4-mesyl-phenyl)-3-cyclopropyl-2-(2-methyltetrazol-5-yl)propane-1,3-dione Formula: C15H15ClN4O4S MolecularWeight: 382.822

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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)Cl

Isomeric SMILES

CN1N=C(N=N1)C(C(=O)C2CC2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C15H15ClN4O4S/c1-20-18-15(17-19-20)12(13(21)8-3-4-8)14(22)10-6-5-9(7-11(10)16)25(2,23)24/h5-8,12H,3-4H2,1-2H3