N-(5-bromanylpyridin-1-ium-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-bromanylpyridin-1-ium-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-bromopyridin-1-ium-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(5-bromo-2-pyridin-1-iumyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-bromopyridin-1-ium-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-bromopyridin-1-ium-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C11H13BrN5OS+ MolecularWeight: 343.22282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)NC2=[NH+]C=C(C=C2)Br

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)NC2=[NH+]C=C(C=C2)Br

InChI

InChI=1S/C11H12BrN5OS/c1-2-8-15-11(17-16-8)19-6-10(18)14-9-4-3-7(12)5-13-9/h3-5H,2,6H2,1H3,(H,13,14,18)(H,15,16,17)/p+1