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1H-1,2,4-triazol-5-ylsulfanyl butanoate

1H-1,2,4-triazol-5-ylsulfanyl butanoate

Systemtic Name:1H-1,2,4-triazol-5-ylsulfanyl butanoate
Openeye Name:1H-1,2,4-triazol-5-ylsulfanyl butanoate
CAS Name:butanoic acid (1H-1,2,4-triazol-5-ylthio) ester
IUPAC Name:1H-1,2,4-triazol-5-ylsulfanyl butanoate
Traditional Name:butyric acid (1H-1,2,4-triazol-5-ylthio) ester
Formula: C6H9N3O2S
MolecularWeight: 187.21956
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OSC1=NC=NN1


Isomeric SMILES

CCCC(=O)OSC1=NC=NN1


InChI

InChI=1S/C6H9N3O2S/c1-2-3-5(10)11-12-6-7-4-8-9-6/h4H,2-3H2,1H3,(H,7,8,9)


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