(2-ethylpyrazol-3-yl) 4-[(4-methyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)methyl]-2-methylsulfonyloxy-benzoate

Systemtic Name: (2-ethylpyrazol-3-yl) 4-[(4-methyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)methyl]-2-methylsulfonyloxy-benzoate Openeye Name: (2-ethylpyrazol-3-yl) 4-[(4-methyl-5-oxo-tetrazol-1-yl)methyl]-2-methylsulfonyloxy-benzoate CAS Name: 4-[(4-methyl-5-oxo-1-tetrazolyl)methyl]-2-methylsulfonyloxybenzoic acid (2-ethyl-3-pyrazolyl) ester IUPAC Name: (2-ethylpyrazol-3-yl) 4-[(4-methyl-5-oxotetrazol-1-yl)methyl]-2-methylsulfonyloxybenzoate Traditional Name: 4-[(5-keto-4-methyl-tetrazol-1-yl)methyl]-2-methylsulfonyloxy-benzoic acid (2-ethylpyrazol-3-yl) ester Formula: C16H18N6O6S MolecularWeight: 422.41572

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)OC(=O)C2=C(C=C(C=C2)CN3C(=O)N(N=N3)C)OS(=O)(=O)C

Isomeric SMILES

CCN1C(=CC=N1)OC(=O)C2=C(C=C(C=C2)CN3C(=O)N(N=N3)C)OS(=O)(=O)C

InChI

InChI=1S/C16H18N6O6S/c1-4-21-14(7-8-17-21)27-15(23)12-6-5-11(9-13(12)28-29(3,25)26)10-22-16(24)20(2)18-19-22/h5-9H,4,10H2,1-3H3