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

Systemtic Name: 7-bromanyl-1-oxidanidyl-3-(phenylsulfonyl)-1,2,4-benzotriazin-1-ium Openeye Name: 3-(benzenesulfonyl)-7-bromo-1-oxido-1,2,4-benzotriazin-1-ium CAS Name: 3-(benzenesulfonyl)-7-bromo-1-oxido-1,2,4-benzotriazin-1-ium IUPAC Name: 3-(benzenesulfonyl)-7-bromo-1-oxido-1,2,4-benzotriazin-1-ium Traditional Name: 3-besyl-7-bromo-1-oxido-1,2,4-benzotriazin-1-ium Formula: C13H8BrN3O3S MolecularWeight: 366.18992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=NC3=C(C=C(C=C3)Br)[N+](=N2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=NC3=C(C=C(C=C3)Br)[N+](=N2)[O-]

InChI

InChI=1S/C13H8BrN3O3S/c14-9-6-7-11-12(8-9)17(18)16-13(15-11)21(19,20)10-4-2-1-3-5-10/h1-8H