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

Systemtic Name: ethyl 3-[(5-acetamido-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: ethyl 3-[(5-acetamido-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[(5-acetamido-1H-1,2,4-triazol-3-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(5-acetamido-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(5-acetamido-1H-1,2,4-triazol-3-yl)thio]propionic acid ethyl ester Formula: C9H14N4O3S MolecularWeight: 258.29746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NNC(=N1)NC(=O)C

Isomeric SMILES

CCOC(=O)CCSC1=NNC(=N1)NC(=O)C

InChI

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