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

Systemtic Name: butyl 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 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 butyl ester IUPAC Name: 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 butyl ester Formula: C8H14N4O2S MolecularWeight: 230.28736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NNC(=N1)N

Isomeric SMILES

CCCCOC(=O)CSC1=NNC(=N1)N

InChI

InChI=1S/C8H14N4O2S/c1-2-3-4-14-6(13)5-15-8-10-7(9)11-12-8/h2-5H2,1H3,(H3,9,10,11,12)