2-[[5-ethyl-4-(3-methylbutyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-ethyl-4-(3-methylbutyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[(5-ethyl-4-isopentyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[5-ethyl-4-(3-methylbutyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-ethyl-4-(3-methylbutyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(5-ethyl-4-isoamyl-1,2,4-triazol-3-yl)thio]acetate Formula: C11H18N3O2S- MolecularWeight: 256.34452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CCC(C)C)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1CCC(C)C)SCC(=O)[O-]

InChI

InChI=1S/C11H19N3O2S/c1-4-9-12-13-11(17-7-10(15)16)14(9)6-5-8(2)3/h8H,4-7H2,1-3H3,(H,15,16)/p-1