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(Q82125391)
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English
4-Benzyl-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
268.3385
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₂N₄S
0 references
canonical SMILES
C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CN=CC=C3
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Identifiers
InChI
InChI=1S/C14H12N4S/c19-14-17-16-13(12-7-4-8-15-9-12)18(14)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,17,19)
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InChIKey
PXHPPVLWNLIWNR-UHFFFAOYSA-N
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CAS Registry Number
129119-80-8
1 reference
InChIKey
PXHPPVLWNLIWNR-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=129119-80-8
PubChem CID
667615
1 reference
matched by identifier from
InChIKey
InChIKey
PXHPPVLWNLIWNR-UHFFFAOYSA-N
UniChem compound ID
987789
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40349864
1 reference
matched by identifier from
InChIKey
InChIKey
PXHPPVLWNLIWNR-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80300934
0 references
Probes And Drugs ID
PD129398
0 references
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