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

Systemtic Name: tert-butyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: tert-butyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetic acid tert-butyl ester Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)OC(C)(C)C

InChI

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