2-[[4-[2-(dimethylazaniumyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-[2-(dimethylazaniumyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[2-(dimethylammonio)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[2-(dimethylammonio)ethyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[2-(dimethylazaniumyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[2-(dimethylammonio)ethyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C8H14N4O2S MolecularWeight: 230.28736

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C=NN=C1SCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCN1C=NN=C1SCC(=O)[O-]

InChI

InChI=1S/C8H14N4O2S/c1-11(2)3-4-12-6-9-10-8(12)15-5-7(13)14/h6H,3-5H2,1-2H3,(H,13,14)