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

Systemtic Name: 2-[[4-[3-(diethylazaniumyl)propyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[3-(diethylammonio)propyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[3-(diethylammonio)propyl]-5-propyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[3-(diethylazaniumyl)propyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[3-(diethylammonio)propyl]-5-propyl-1,2,4-triazol-3-yl]thio]acetate Formula: C14H26N4O2S MolecularWeight: 314.44684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CCC[NH+](CC)CC)SCC(=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1CCC[NH+](CC)CC)SCC(=O)[O-]

InChI

InChI=1S/C14H26N4O2S/c1-4-8-12-15-16-14(21-11-13(19)20)18(12)10-7-9-17(5-2)6-3/h4-11H2,1-3H3,(H,19,20)