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

Systemtic Name: tert-butyl 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: tert-butyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetic acid tert-butyl ester Formula: C8H14N4O2S MolecularWeight: 230.28736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NNC(=N1)N

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NNC(=N1)N

InChI

InChI=1S/C8H14N4O2S/c1-8(2,3)14-5(13)4-15-7-10-6(9)11-12-7/h4H2,1-3H3,(H3,9,10,11,12)