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

Systemtic Name: 2-(1H-1,2,4-triazol-1-ium-5-ylsulfanyl)ethanenitrile Openeye Name: 2-(1H-1,2,4-triazol-1-ium-5-ylsulfanyl)acetonitrile CAS Name: 2-(1H-1,2,4-triazol-1-ium-5-ylthio)acetonitrile IUPAC Name: 2-(1H-1,2,4-triazol-1-ium-5-ylsulfanyl)acetonitrile Traditional Name: 2-(1H-1,2,4-triazol-1-ium-5-ylthio)acetonitrile Formula: C4H5N4S+ MolecularWeight: 141.1743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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