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

Systemtic Name: 2-(2-azanyl-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-1-(3-bromophenyl)ethanone Openeye Name: 2-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-1-(3-bromophenyl)ethanone CAS Name: 2-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-1-(3-bromophenyl)ethanone IUPAC Name: 2-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-1-(3-bromophenyl)ethanone Traditional Name: 2-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-1-(3-bromophenyl)ethanone Formula: C11H11BrN3OS+ MolecularWeight: 313.19354

Click to see the large picture

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/C11H10BrN3OS/c1-7-14-15(11(13)17-7)6-10(16)8-3-2-4-9(12)5-8/h2-5,13H,6H2,1H3/p+1