2-[[4-(2-methylbutan-2-yl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(2-methylbutan-2-yl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(1,1-dimethylpropyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-methylbutan-2-yl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(2-methylbutan-2-yl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-tert-amyl-5-isopropyl-1,2,4-triazol-3-yl)thio]acetate Formula: C12H20N3O2S- MolecularWeight: 270.3711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O2S/c1-6-12(4,5)15-10(8(2)3)13-14-11(15)18-7-9(16)17/h8H,6-7H2,1-5H3,(H,16,17)/p-1