2-[[4-ethyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 2-[[4-ethyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[4-ethyl-5-(5-methylisoxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[4-ethyl-5-(5-methyl-3-isoxazolyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[4-ethyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[4-ethyl-5-(5-methylisoxazol-3-yl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C11H14N4O3S MolecularWeight: 282.31886

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)O)C2=NOC(=C2)C

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)O)C2=NOC(=C2)C

InChI

InChI=1S/C11H14N4O3S/c1-4-15-9(8-5-6(2)18-14-8)12-13-11(15)19-7(3)10(16)17/h5,7H,4H2,1-3H3,(H,16,17)