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

Systemtic Name: 2-(2-azanyl-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-1-phenyl-ethanone bromide CAS Name: 2-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-1-phenylethanone bromide IUPAC Name: 2-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-1-phenylethanone bromide Traditional Name: 2-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-1-phenyl-ethanone bromide Formula: C11H12BrN3OS MolecularWeight: 314.20148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](=C(S1)N)CC(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CC1=N[N+](=C(S1)N)CC(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C11H11N3OS.BrH/c1-8-13-14(11(12)16-8)7-10(15)9-5-3-2-4-6-9;/h2-6,12H,7H2,1H3;1H