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

Systemtic Name: (2-ethylpyrazol-3-yl) 2-chloranyl-3-[(4-methyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)methyl]-4-methylsulfonyl-benzoate Openeye Name: (2-ethylpyrazol-3-yl) 2-chloro-3-[(4-methyl-5-oxo-tetrazol-1-yl)methyl]-4-methylsulfonyl-benzoate CAS Name: 2-chloro-3-[(4-methyl-5-oxo-1-tetrazolyl)methyl]-4-methylsulfonylbenzoic acid (2-ethyl-3-pyrazolyl) ester IUPAC Name: (2-ethylpyrazol-3-yl) 2-chloro-3-[(4-methyl-5-oxotetrazol-1-yl)methyl]-4-methylsulfonylbenzoate Traditional Name: 2-chloro-3-[(5-keto-4-methyl-tetrazol-1-yl)methyl]-4-mesyl-benzoic acid (2-ethylpyrazol-3-yl) ester Formula: C16H17ClN6O5S MolecularWeight: 440.86138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN6O5S/c1-4-22-13(7-8-18-22)28-15(24)10-5-6-12(29(3,26)27)11(14(10)17)9-23-16(25)21(2)19-20-23/h5-8H,4,9H2,1-3H3