2-[(4-azanyl-5-pentan-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(4-azanyl-5-pentan-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(1-ethylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-amino-5-pentan-3-yl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-amino-5-pentan-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(1-ethylpropyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C9H15N4O2S- MolecularWeight: 243.306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(N1N)SCC(=O)[O-]

Isomeric SMILES

CCC(CC)C1=NN=C(N1N)SCC(=O)[O-]

InChI

InChI=1S/C9H16N4O2S/c1-3-6(4-2)8-11-12-9(13(8)10)16-5-7(14)15/h6H,3-5,10H2,1-2H3,(H,14,15)/p-1