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

Systemtic Name: (2-ethylpyrazol-3-yl) 2-chloranyl-3-(4-methyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)-4-(trifluoromethylsulfonyl)benzoate Openeye Name: (2-ethylpyrazol-3-yl) 2-chloro-3-(4-methyl-5-oxo-tetrazol-1-yl)-4-(trifluoromethylsulfonyl)benzoate CAS Name: 2-chloro-3-(4-methyl-5-oxo-1-tetrazolyl)-4-(trifluoromethylsulfonyl)benzoic acid (2-ethyl-3-pyrazolyl) ester IUPAC Name: (2-ethylpyrazol-3-yl) 2-chloro-3-(4-methyl-5-oxotetrazol-1-yl)-4-(trifluoromethylsulfonyl)benzoate Traditional Name: 2-chloro-3-(5-keto-4-methyl-tetrazol-1-yl)-4-triflyl-benzoic acid (2-ethylpyrazol-3-yl) ester Formula: C15H12ClF3N6O5S MolecularWeight: 480.80619

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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(F)(F)F)N3C(=O)N(N=N3)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClF3N6O5S/c1-3-24-10(6-7-20-24)30-13(26)8-4-5-9(31(28,29)15(17,18)19)12(11(8)16)25-14(27)23(2)21-22-25/h4-7H,3H2,1-2H3