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(Q82143597)
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CHEMBL68578
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
245.992154812
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₆N₂OS₂
0 references
canonical SMILES
N#Cc1ccc(/C=C2\SC(=S)NC2=O)cc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C1=CC(=CC=C1/C=C\2/C(=O)NC(=S)S2)C#N
0 references
Identifiers
InChI
InChI=1S/C11H6N2OS2/c12-6-8-3-1-7(2-4-8)5-9-10(14)13-11(15)16-9/h1-5H,(H,13,14,15)/b9-5-
0 references
InChIKey
KQZYUFUWQRAWLE-UITAMQMPSA-N
0 references
CAS Registry Number
29947-08-8
0 references
PubChem CID
1241451
1 reference
matched by identifier from
InChIKey
InChIKey
KQZYUFUWQRAWLE-UITAMQMPSA-N
UniChem compound ID
322728
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90361314
1 reference
matched by identifier from
InChIKey
InChIKey
KQZYUFUWQRAWLE-UITAMQMPSA-N
DSSTOX compound identifier
DTXCID10312363
0 references
NSC number
409011
0 references
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