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

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

Systemtic Name:2H-1,2,3-triazol-4-ylsulfanylmethyl heptanoate
Openeye Name:2H-triazol-4-ylsulfanylmethyl heptanoate
CAS Name:heptanoic acid (2H-triazol-4-ylthio)methyl ester
IUPAC Name:2H-triazol-4-ylsulfanylmethyl heptanoate
Traditional Name:enanthic acid (2H-triazol-4-ylthio)methyl ester
Formula: C10H17N3O2S
MolecularWeight: 243.32588
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCSC1=NNN=C1


Isomeric SMILES

CCCCCCC(=O)OCSC1=NNN=C1


InChI

InChI=1S/C10H17N3O2S/c1-2-3-4-5-6-10(14)15-8-16-9-7-11-13-12-9/h7H,2-6,8H2,1H3,(H,11,12,13)


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