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

Systemtic Name: 2-[[4-(2-morpholin-4-ylethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(2-morpholinoethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[2-(4-morpholinyl)ethyl]-5-propyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(2-morpholin-4-ylethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-morpholinoethyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetate Formula: C13H21N4O3S- MolecularWeight: 313.39584

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CCN2CCOCC2)SCC(=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1CCN2CCOCC2)SCC(=O)[O-]

InChI

InChI=1S/C13H22N4O3S/c1-2-3-11-14-15-13(21-10-12(18)19)17(11)5-4-16-6-8-20-9-7-16/h2-10H2,1H3,(H,18,19)/p-1