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

Systemtic Name: 2-[[4-(3-methylbutyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[(4-isopentyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[4-(3-methylbutyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3-methylbutyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-isoamyl-5-propyl-1,2,4-triazol-3-yl)thio]acetate Formula: C12H20N3O2S- MolecularWeight: 270.3711

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CCC(C)C)SCC(=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1CCC(C)C)SCC(=O)[O-]

InChI

InChI=1S/C12H21N3O2S/c1-4-5-10-13-14-12(18-8-11(16)17)15(10)7-6-9(2)3/h9H,4-8H2,1-3H3,(H,16,17)/p-1