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(Q82233614)
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AN-329/40183930
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
229.993217432
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₆H₆N₄O₂S₂
0 references
canonical SMILES
N=C(S)N/N=C/c1ccc([N+](=O)[O-])s1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C1=C(SC(=C1)[N+](=O)[O-])/C=N/NC(=S)N
0 references
Identifiers
InChI
InChI=1S/C6H6N4O2S2/c7-6(13)9-8-3-4-1-2-5(14-4)10(11)12/h1-3H,(H3,7,9,13)/b8-3+
0 references
InChIKey
ASTVIOLHJJWJMJ-FPYGCLRLSA-N
0 references
CAS Registry Number
5351-83-7
0 references
PubChem CID
6074760
0 references
UniChem compound ID
415014
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10421888
0 references
DSSTOX compound identifier
DTXCID20372731
0 references
NSC number
725
0 references
208742
0 references
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