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

Systemtic Name: ethyl 2-[[5-(2-methylbutan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(1,1-dimethylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-methylbutan-2-yl)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(2-methylbutan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(5-tert-amyl-1H-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C11H19N3O2S MolecularWeight: 257.35246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=NC(=NN1)SCC(=O)OCC

Isomeric SMILES

CCC(C)(C)C1=NC(=NN1)SCC(=O)OCC

InChI

InChI=1S/C11H19N3O2S/c1-5-11(3,4)9-12-10(14-13-9)17-7-8(15)16-6-2/h5-7H2,1-4H3,(H,12,13,14)