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

Systemtic Name: 8-methylsulfonyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 8-methylsulfonyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 8-methylsulfonyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 8-methylsulfonyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (8-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=CC=CC2=C1[N+](=NC(=N2)N)[O-]

Isomeric SMILES

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

InChI

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