morpholin-4-ium; 2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoate

Systemtic Name: morpholin-4-ium; 2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoate Openeye Name: morpholin-4-ium; 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate CAS Name: morpholin-4-ium; 2-(1H-1,2,4-triazol-5-ylthio)acetate IUPAC Name: morpholin-4-ium; 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate Traditional Name: morpholin-4-ium; 2-(1H-1,2,4-triazol-5-ylthio)acetate Formula: C8H14N4O3S MolecularWeight: 246.28676

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH2+]1.C1=NNC(=N1)SCC(=O)[O-]

Isomeric SMILES

C1COCC[NH2+]1.C1=NNC(=N1)SCC(=O)[O-]

InChI

InChI=1S/C4H5N3O2S.C4H9NO/c8-3(9)1-10-4-5-2-6-7-4;1-3-6-4-2-5-1/h2H,1H2,(H,8,9)(H,5,6,7);5H,1-4H2