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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C=NN=C1SCC(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCCN1C=NN=C1SCC(=O)[O-]

InChI

InChI=1S/C11H20N4O2S/c1-3-14(4-2)6-5-7-15-9-12-13-11(15)18-8-10(16)17/h9H,3-8H2,1-2H3,(H,16,17)