1-oxidanidyl-7-(phenylsulfonyl)-1,2,4-benzotriazin-1-ium-3-amine

Systemtic Name: 1-oxidanidyl-7-(phenylsulfonyl)-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 7-(benzenesulfonyl)-1-oxido-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 7-(benzenesulfonyl)-1-oxido-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 7-(benzenesulfonyl)-1-oxido-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (7-besyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amine Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=[N+]3[O-])N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=[N+]3[O-])N

InChI

InChI=1S/C13H10N4O3S/c14-13-15-11-7-6-10(8-12(11)17(18)16-13)21(19,20)9-4-2-1-3-5-9/h1-8H,(H2,14,15,16)