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

Systemtic Name: 2-(2-azanyl-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-phenyl-ethanone Openeye Name: 2-(2-amino-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-phenyl-ethanone CAS Name: 2-(2-amino-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-phenylethanone IUPAC Name: 2-(2-amino-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-phenylethanone Traditional Name: 2-(2-amino-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-phenyl-ethanone Formula: C12H14N3OS+ MolecularWeight: 248.32406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3OS/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/p+1