2H-1,2,3-triazol-4-ylsulfanylmethyl hexanoate

Systemtic Name: 2H-1,2,3-triazol-4-ylsulfanylmethyl hexanoate Openeye Name: 2H-triazol-4-ylsulfanylmethyl hexanoate CAS Name: hexanoic acid (2H-triazol-4-ylthio)methyl ester IUPAC Name: 2H-triazol-4-ylsulfanylmethyl hexanoate Traditional Name: hexanoic acid (2H-triazol-4-ylthio)methyl ester Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCSC1=NNN=C1

Isomeric SMILES

CCCCCC(=O)OCSC1=NNN=C1

InChI

InChI=1S/C9H15N3O2S/c1-2-3-4-5-9(13)14-7-15-8-6-10-12-11-8/h6H,2-5,7H2,1H3,(H,10,11,12)