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MS-6640
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
296.073182004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₂N₄OS
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1Nc2ccccc2C1=NNC(S)=Nc1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H12N4OS/c20-14-13(11-8-4-5-9-12(11)17-14)18-19-15(21)16-10-6-2-1-3-7-10/h1-9H,(H2,16,19,21)(H,17,18,20)
0 references
InChIKey
VFNGPRGMGIVBCB-UHFFFAOYSA-N
0 references
CAS Registry Number
28492-94-6
1 reference
InChIKey
VFNGPRGMGIVBCB-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=28492-94-6
DSSTox substance ID
DTXSID90415306
0 references
DSSTOX compound identifier
DTXCID40366157
0 references
NSC number
73303
0 references
118729
0 references
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