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

Systemtic Name: 7-methylsulfonyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 7-methylsulfonyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 7-methylsulfonyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 7-methylsulfonyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (7-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=C(N=[N+]2[O-])N

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(N=[N+]2[O-])N

InChI

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