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

Systemtic Name: 1-(2-chloranyl-4-methylsulfonyl-phenyl)-4-methyl-2-(2-methyl-1,2,3,4-tetrazol-5-yl)pentane-1,3-dione Openeye Name: 1-(2-chloro-4-methylsulfonyl-phenyl)-4-methyl-2-(2-methyltetrazol-5-yl)pentane-1,3-dione CAS Name: 1-(2-chloro-4-methylsulfonylphenyl)-4-methyl-2-(2-methyl-5-tetrazolyl)pentane-1,3-dione IUPAC Name: 1-(2-chloro-4-methylsulfonylphenyl)-4-methyl-2-(2-methyltetrazol-5-yl)pentane-1,3-dione Traditional Name: 1-(2-chloro-4-mesyl-phenyl)-4-methyl-2-(2-methyltetrazol-5-yl)pentane-1,3-dione Formula: C15H17ClN4O4S MolecularWeight: 384.83788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C1=NN(N=N1)C)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)C(=O)C(C1=NN(N=N1)C)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C15H17ClN4O4S/c1-8(2)13(21)12(15-17-19-20(3)18-15)14(22)10-6-5-9(7-11(10)16)25(4,23)24/h5-8,12H,1-4H3