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

Systemtic Name: 2-[[5-ethyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-ethyl-4-(2-morpholinoethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-ethyl-4-[2-(4-morpholinyl)ethyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-ethyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-ethyl-4-(2-morpholinoethyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C12H19N4O3S- MolecularWeight: 299.36926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CCN2CCOCC2)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1CCN2CCOCC2)SCC(=O)[O-]

InChI

InChI=1S/C12H20N4O3S/c1-2-10-13-14-12(20-9-11(17)18)16(10)4-3-15-5-7-19-8-6-15/h2-9H2,1H3,(H,17,18)/p-1