3-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)propanenitrile chloride

Systemtic Name: 3-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)propanenitrile chloride Openeye Name: 3-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)propanenitrile chloride CAS Name: 3-(4,5-dihydro-1H-imidazol-3-ium-2-ylthio)propanenitrile chloride IUPAC Name: 3-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)propanenitrile chloride Traditional Name: 3-(2-imidazolin-1-ium-2-ylthio)propionitrile chloride Formula: C6H10ClN3S MolecularWeight: 191.6817

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)SCCC#N.[Cl-]

Isomeric SMILES

C1C[NH+]=C(N1)SCCC#N.[Cl-]

InChI

InChI=1S/C6H9N3S.ClH/c7-2-1-5-10-6-8-3-4-9-6;/h1,3-5H2,(H,8,9);1H