(2-ethylpyrazol-3-yl) 4-chloranyl-3-(4-methyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)-2-methylsulfonyl-benzoate

Systemtic Name: (2-ethylpyrazol-3-yl) 4-chloranyl-3-(4-methyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)-2-methylsulfonyl-benzoate Openeye Name: (2-ethylpyrazol-3-yl) 4-chloro-3-(4-methyl-5-oxo-tetrazol-1-yl)-2-methylsulfonyl-benzoate CAS Name: 4-chloro-3-(4-methyl-5-oxo-1-tetrazolyl)-2-methylsulfonylbenzoic acid (2-ethyl-3-pyrazolyl) ester IUPAC Name: (2-ethylpyrazol-3-yl) 4-chloro-3-(4-methyl-5-oxotetrazol-1-yl)-2-methylsulfonylbenzoate Traditional Name: 4-chloro-3-(5-keto-4-methyl-tetrazol-1-yl)-2-mesyl-benzoic acid (2-ethylpyrazol-3-yl) ester Formula: C15H15ClN6O5S MolecularWeight: 426.8348

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)OC(=O)C2=C(C(=C(C=C2)Cl)N3C(=O)N(N=N3)C)S(=O)(=O)C

Isomeric SMILES

CCN1C(=CC=N1)OC(=O)C2=C(C(=C(C=C2)Cl)N3C(=O)N(N=N3)C)S(=O)(=O)C

InChI

InChI=1S/C15H15ClN6O5S/c1-4-21-11(7-8-17-21)27-14(23)9-5-6-10(16)12(13(9)28(3,25)26)22-15(24)20(2)18-19-22/h5-8H,4H2,1-3H3