1,5-dimethyl-3-methylsulfonyl-3aH-pyrazolo[3,4-d]pyridazin-1-ium-4-one

Systemtic Name: 1,5-dimethyl-3-methylsulfonyl-3aH-pyrazolo[3,4-d]pyridazin-1-ium-4-one Openeye Name: 1,5-dimethyl-3-methylsulfonyl-3aH-pyrazolo[3,4-d]pyridazin-1-ium-4-one CAS Name: 1,5-dimethyl-3-methylsulfonyl-3aH-pyrazolo[3,4-d]pyridazin-1-ium-4-one IUPAC Name: 1,5-dimethyl-3-methylsulfonyl-3aH-pyrazolo[3,4-d]pyridazin-1-ium-4-one Traditional Name: 3-mesyl-1,5-dimethyl-3aH-pyrazolo[3,4-d]pyridazin-1-ium-4-one Formula: C8H11N4O3S+ MolecularWeight: 243.26294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2C(=[N+](N=C2S(=O)(=O)C)C)C=N1

Isomeric SMILES

CN1C(=O)C2C(=[N+](N=C2S(=O)(=O)C)C)C=N1

InChI

InChI=1S/C8H11N4O3S/c1-11-5-4-9-12(2)8(13)6(5)7(10-11)16(3,14)15/h4,6H,1-3H3/q+1