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

Systemtic Name: ethyl 2-[[5-(propanoylamino)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(propanoylamino)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(1-oxopropylamino)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(propanoylamino)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(5-propionamido-1H-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C9H14N4O3S MolecularWeight: 258.29746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC(=NN1)SCC(=O)OCC

Isomeric SMILES

CCC(=O)NC1=NC(=NN1)SCC(=O)OCC

InChI

InChI=1S/C9H14N4O3S/c1-3-6(14)10-8-11-9(13-12-8)17-5-7(15)16-4-2/h3-5H2,1-2H3,(H2,10,11,12,13,14)