methyl 2-chloranylsulfonyl-5,6-dimethyl-7-oxidanylidene-4H-pyrazolo[1,5-a][1,3,5]triazin-5-ium-3-carboxylate

Systemtic Name: methyl 2-chloranylsulfonyl-5,6-dimethyl-7-oxidanylidene-4H-pyrazolo[1,5-a][1,3,5]triazin-5-ium-3-carboxylate Openeye Name: methyl 2-chlorosulfonyl-5,6-dimethyl-7-oxo-4H-pyrazolo[1,5-a][1,3,5]triazin-5-ium-3-carboxylate CAS Name: 2-chlorosulfonyl-5,6-dimethyl-7-oxo-4H-pyrazolo[1,5-a][1,3,5]triazin-5-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 2-chlorosulfonyl-5,6-dimethyl-7-oxo-4H-pyrazolo[1,5-a][1,3,5]triazin-5-ium-3-carboxylate Traditional Name: 2-chlorosulfonyl-7-keto-5,6-dimethyl-4H-pyrazolo[1,5-a][1,3,5]triazin-5-ium-3-carboxylic acid methyl ester Formula: C9H12ClN4O5S+ MolecularWeight: 323.73338

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C2[N+]1(CN(C(=N2)S(=O)(=O)Cl)C(=O)OC)C

Isomeric SMILES

CN1C(=O)C=C2[N+]1(CN(C(=N2)S(=O)(=O)Cl)C(=O)OC)C

InChI

InChI=1S/C9H12ClN4O5S/c1-12-7(15)4-6-11-8(20(10,17)18)13(9(16)19-3)5-14(6,12)2/h4H,5H2,1-3H3/q+1