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

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

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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/c7-3-6(10)4-11-9-2-1-8-5-9;/h1-2,5H,3-4H2;1H