1-chloranyl-3-(1H-imidazol-3-ium-2-ylsulfanyl)propan-2-one chloride

Systemtic Name: 1-chloranyl-3-(1H-imidazol-3-ium-2-ylsulfanyl)propan-2-one chloride Openeye Name: 1-chloro-3-(1H-imidazol-3-ium-2-ylsulfanyl)propan-2-one chloride CAS Name: 1-chloro-3-(1H-imidazol-3-ium-2-ylthio)-2-propanone chloride IUPAC Name: 1-chloro-3-(1H-imidazol-3-ium-2-ylsulfanyl)propan-2-one chloride Traditional Name: 1-chloro-3-(1H-imidazol-3-ium-2-ylthio)acetone chloride Formula: C6H8Cl2N2OS MolecularWeight: 227.11152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=C(N1)SCC(=O)CCl.[Cl-]

Isomeric SMILES

C1=C[NH+]=C(N1)SCC(=O)CCl.[Cl-]

InChI

InChI=1S/C6H7ClN2OS.ClH/c7-3-5(10)4-11-6-8-1-2-9-6;/h1-2H,3-4H2,(H,8,9);1H