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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CCN2CCOCC2)SCC(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1CCN2CCOCC2)SCC(=O)O

InChI

InChI=1S/C13H22N4O3S/c1-10(2)12-14-15-13(21-9-11(18)19)17(12)4-3-16-5-7-20-8-6-16/h10H,3-9H2,1-2H3,(H,18,19)