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

Systemtic Name: 7-(4-bromophenyl)sulfonyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 7-(4-bromophenyl)sulfonyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 7-(4-bromophenyl)sulfonyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 7-(4-bromophenyl)sulfonyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (7-brosyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amine Formula: C13H9BrN4O3S MolecularWeight: 381.20456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)C2=CC3=C(C=C2)N=C(N=[N+]3[O-])N)Br

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)C2=CC3=C(C=C2)N=C(N=[N+]3[O-])N)Br

InChI

InChI=1S/C13H9BrN4O3S/c14-8-1-3-9(4-2-8)22(20,21)10-5-6-11-12(7-10)18(19)17-13(15)16-11/h1-7H,(H2,15,16,17)