2-bromanyl-4-(6-chloranylpyridazin-3-yl)sulfanyl-1-cyano-N,N-dimethyl-benzimidazol-1-ium-1-sulfonamide

Systemtic Name: 2-bromanyl-4-(6-chloranylpyridazin-3-yl)sulfanyl-1-cyano-N,N-dimethyl-benzimidazol-1-ium-1-sulfonamide Openeye Name: 2-bromo-4-(6-chloropyridazin-3-yl)sulfanyl-1-cyano-N,N-dimethyl-benzimidazol-1-ium-1-sulfonamide CAS Name: 2-bromo-4-[(6-chloro-3-pyridazinyl)thio]-1-cyano-N,N-dimethyl-1-benzimidazol-1-iumsulfonamide IUPAC Name: 2-bromo-4-(6-chloropyridazin-3-yl)sulfanyl-1-cyano-N,N-dimethylbenzimidazol-1-ium-1-sulfonamide Traditional Name: 2-bromo-4-[(6-chloropyridazin-3-yl)thio]-1-cyano-N,N-dimethyl-benzimidazol-1-ium-1-sulfonamide Formula: C14H11BrClN6O2S2+ MolecularWeight: 474.76314

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)[N+]1(C2=C(C(=CC=C2)SC3=NN=C(C=C3)Cl)N=C1Br)C#N

Isomeric SMILES

CN(C)S(=O)(=O)[N+]1(C2=C(C(=CC=C2)SC3=NN=C(C=C3)Cl)N=C1Br)C#N

InChI

InChI=1S/C14H11BrClN6O2S2/c1-21(2)26(23,24)22(8-17)9-4-3-5-10(13(9)18-14(22)15)25-12-7-6-11(16)19-20-12/h3-7H,1-2H3/q+1