methyl 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: methyl 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: methyl 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)OC)C2=CC=NC=C2

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)OC)C2=CC=NC=C2

InChI

InChI=1S/C13H16N4O2S/c1-4-17-11(10-5-7-14-8-6-10)15-16-13(17)20-9(2)12(18)19-3/h5-9H,4H2,1-3H3