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

Systemtic Name: ethyl 2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC)C2=CN=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC)C2=CN=CC=C2

InChI

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