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

Systemtic Name: 2-[[4-[2-(diethylazaniumyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[2-(diethylammonio)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[2-(diethylammonio)ethyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[2-(diethylazaniumyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[2-(diethylammonio)ethyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C10H18N4O2S MolecularWeight: 258.34052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18N4O2S/c1-3-13(4-2)5-6-14-8-11-12-10(14)17-7-9(15)16/h8H,3-7H2,1-2H3,(H,15,16)