2-[[4-[3-(dimethylazaniumyl)propyl]-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-[3-(dimethylazaniumyl)propyl]-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[3-(dimethylammonio)propyl]-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[3-(dimethylammonio)propyl]-5-ethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[3-(dimethylazaniumyl)propyl]-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[3-(dimethylammonio)propyl]-5-ethyl-1,2,4-triazol-3-yl]thio]acetate Formula: C11H20N4O2S MolecularWeight: 272.3671

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CCC[NH+](C)C)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1CCC[NH+](C)C)SCC(=O)[O-]

InChI

InChI=1S/C11H20N4O2S/c1-4-9-12-13-11(18-8-10(16)17)15(9)7-5-6-14(2)3/h4-8H2,1-3H3,(H,16,17)