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

Systemtic Name: 2-[[4-[3-(dimethylazaniumyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[3-(dimethylammonio)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[3-(dimethylammonio)propyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[3-(dimethylazaniumyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[3-(dimethylammonio)propyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C9H16N4O2S MolecularWeight: 244.31394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N4O2S/c1-12(2)4-3-5-13-7-10-11-9(13)16-6-8(14)15/h7H,3-6H2,1-2H3,(H,14,15)