2-(2-azanyl-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-phenyl-ethanone bromide

Systemtic Name: 2-(2-azanyl-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(2-amino-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-phenyl-ethanone bromide CAS Name: 2-(2-amino-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-phenylethanone bromide IUPAC Name: 2-(2-amino-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-phenylethanone bromide Traditional Name: 2-(2-amino-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-phenyl-ethanone bromide Formula: C12H14BrN3OS MolecularWeight: 328.22806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=N[N+](=C(S1)N)CC(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCC1=N[N+](=C(S1)N)CC(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C12H13N3OS.BrH/c1-2-11-14-15(12(13)17-11)8-10(16)9-6-4-3-5-7-9;/h3-7,13H,2,8H2,1H3;1H