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

Systemtic Name: 2-[(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[[5-(1-ethylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[5-(1-ethylpropyl)-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C9H14N3O2S- MolecularWeight: 228.29136

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NC(=NN1)SCC(=O)[O-]

Isomeric SMILES

CCC(CC)C1=NC(=NN1)SCC(=O)[O-]

InChI

InChI=1S/C9H15N3O2S/c1-3-6(4-2)8-10-9(12-11-8)15-5-7(13)14/h6H,3-5H2,1-2H3,(H,13,14)(H,10,11,12)/p-1