2-[[4-(3-methylbutyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(3-methylbutyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[(4-isopentyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[4-(3-methylbutyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3-methylbutyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-isoamyl-1,2,4-triazol-3-yl)thio]acetate Formula: C9H14N3O2S- MolecularWeight: 228.29136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NN=C1SCC(=O)[O-]

Isomeric SMILES

CC(C)CCN1C=NN=C1SCC(=O)[O-]

InChI

InChI=1S/C9H15N3O2S/c1-7(2)3-4-12-6-10-11-9(12)15-5-8(13)14/h6-7H,3-5H2,1-2H3,(H,13,14)/p-1