2-[[5-ethyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-ethyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-ethyl-4-(3-morpholinopropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-ethyl-4-[3-(4-morpholinyl)propyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-ethyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-ethyl-4-(3-morpholinopropyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CCCN2CCOCC2)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1CCCN2CCOCC2)SCC(=O)O

InChI

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