CHEBI:108017 - 2-[[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester

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ChEBI Name 2-[[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester
ChEBI ID CHEBI:108017
Stars This entity has been manually annotated by a third party.
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Formula C14H17N3O2S
Net Charge 0
Average Mass 291.370
Monoisotopic Mass 291.10415
InChI InChI=1S/C14H17N3O2S/c1-17-12(9-8-11-6-4-3-5-7-11)15-16-14(17)20-10-13(18)19-2/h3-7H,8-10H2,1-2H3
InChIKey HRJBQUREDQBSBB-UHFFFAOYSA-N
SMILES CN1C(=NN=C1SCC(=O)OC)CCC2=CC=CC=C2
ChEBI Ontology
Outgoing 2-[[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester (CHEBI:108017) is a aryl sulfide (CHEBI:35683)
Manual Xref Database
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