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

Systemtic Name: 2-[[5-ethyl-4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-ethyl-4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-ethyl-4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-ethyl-4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-ethyl-4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C12H14N3O2S2- MolecularWeight: 296.38846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CCC2=CC=CS2)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1CCC2=CC=CS2)SCC(=O)[O-]

InChI

InChI=1S/C12H15N3O2S2/c1-2-10-13-14-12(19-8-11(16)17)15(10)6-5-9-4-3-7-18-9/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)/p-1