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

Systemtic Name: 2-[[4-ethyl-5-(3-ethylmorpholin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-ethyl-5-(3-ethylmorpholin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-ethyl-5-(3-ethyl-4-morpholinyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-ethyl-5-(3-ethylmorpholin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-ethyl-5-(3-ethylmorpholino)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H20N4O3S MolecularWeight: 300.3772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COCCN1C2=NN=C(N2CC)SCC(=O)O

Isomeric SMILES

CCC1COCCN1C2=NN=C(N2CC)SCC(=O)O

InChI

InChI=1S/C12H20N4O3S/c1-3-9-7-19-6-5-16(9)11-13-14-12(15(11)4-2)20-8-10(17)18/h9H,3-8H2,1-2H3,(H,17,18)