2-(1H-1,2,4-triazol-1-ium-5-ylsulfanyl)ethanenitrile chloride

Systemtic Name: 2-(1H-1,2,4-triazol-1-ium-5-ylsulfanyl)ethanenitrile chloride Openeye Name: 2-(1H-1,2,4-triazol-1-ium-5-ylsulfanyl)acetonitrile chloride CAS Name: 2-(1H-1,2,4-triazol-1-ium-5-ylthio)acetonitrile chloride IUPAC Name: 2-(1H-1,2,4-triazol-1-ium-5-ylsulfanyl)acetonitrile chloride Traditional Name: 2-(1H-1,2,4-triazol-1-ium-5-ylthio)acetonitrile chloride Formula: C4H5ClN4S MolecularWeight: 176.6273

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Descriptors Computed from Structure

Canonical SMILES:

C1=N[NH2+]C(=N1)SCC#N.[Cl-]

Isomeric SMILES

C1=N[NH2+]C(=N1)SCC#N.[Cl-]

InChI

InChI=1S/C4H4N4S.ClH/c5-1-2-9-4-6-3-7-8-4;/h3H,2H2,(H,6,7,8);1H