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

Systemtic Name: 2-[[4-[3-(dimethylazaniumyl)propyl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[3-(dimethylammonio)propyl]-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[3-(dimethylammonio)propyl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[3-(dimethylazaniumyl)propyl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[3-(dimethylammonio)propyl]-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C13H18N4O2S2 MolecularWeight: 326.43762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=NN=C1SCC(=O)[O-])C2=CC=CS2

Isomeric SMILES

C[NH+](C)CCCN1C(=NN=C1SCC(=O)[O-])C2=CC=CS2

InChI

InChI=1S/C13H18N4O2S2/c1-16(2)6-4-7-17-12(10-5-3-8-20-10)14-15-13(17)21-9-11(18)19/h3,5,8H,4,6-7,9H2,1-2H3,(H,18,19)