6-methylsulfonyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine

Systemtic Name: 6-methylsulfonyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 6-methylsulfonyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 6-methylsulfonyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 6-methylsulfonyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (6-mesyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amine Formula: C8H8N4O3S MolecularWeight: 240.23912

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)[N+](=NC(=N2)N)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)[N+](=NC(=N2)N)[O-]

InChI

InChI=1S/C8H8N4O3S/c1-16(14,15)5-2-3-7-6(4-5)10-8(9)11-12(7)13/h2-4H,1H3,(H2,9,10,11)