2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-tert-butyl-4-methyl-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)(C)C1=NN=C(N1C)SCC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN=C(N1C)SCC(=O)[O-]

InChI

InChI=1S/C9H15N3O2S/c1-9(2,3)7-10-11-8(12(7)4)15-5-6(13)14/h5H2,1-4H3,(H,13,14)/p-1