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(Q82232041)
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NSC9939
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
211.041547528
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₈H₉N₃O₂S
0 references
canonical SMILES
N=C(S)NN/C=C1\C=CC(=O)C=C1O
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C1=C/C(=C\NNC(=S)N)/C(=CC1=O)O
0 references
Identifiers
InChI
InChI=1S/C8H9N3O2S/c9-8(14)11-10-4-5-1-2-6(12)3-7(5)13/h1-4,10,13H,(H3,9,11,14)/b5-4+
0 references
InChIKey
DOPKXPSBGNSIFD-SNAWJCMRSA-N
0 references
CAS Registry Number
6292-76-8
0 references
DSSTox substance ID
DTXSID00420744
0 references
DSSTOX compound identifier
DTXCID50371590
0 references
NSC number
9939
0 references
34531
0 references
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