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

Systemtic Name: 2-[(5-methyl-4-pentan-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[[4-(1-ethylpropyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(5-methyl-4-pentan-3-yl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(5-methyl-4-pentan-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-(1-ethylpropyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C10H16N3O2S- MolecularWeight: 242.31794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=NN=C1SCC(=O)[O-])C

Isomeric SMILES

CCC(CC)N1C(=NN=C1SCC(=O)[O-])C

InChI

InChI=1S/C10H17N3O2S/c1-4-8(5-2)13-7(3)11-12-10(13)16-6-9(14)15/h8H,4-6H2,1-3H3,(H,14,15)/p-1