CHEBI:115454 - 4-butyl-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione

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ChEBI Name 4-butyl-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione
ChEBI ID CHEBI:115454
Stars This entity has been manually annotated by a third party.
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Formula C13H17N3S
Net Charge 0
Average Mass 247.361
Monoisotopic Mass 247.11432
InChI InChI=1S/C13H17N3S/c1-2-3-9-16-12(14-15-13(16)17)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,15,17)
InChIKey OCDFGWHAKIHFQG-UHFFFAOYSA-N
SMILES CCCCN1C(=NNC1=S)CC2=CC=CC=C2
ChEBI Ontology
Outgoing 4-butyl-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione (CHEBI:115454) is a benzenes (CHEBI:22712)
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