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(Q82826263)
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English
1-[(2E)-2-[(4-Bromophenyl)imino]-4-methyl-1,3-thiazol-5(2H)-ylidene]-N-hydroxyethan-1-amine
group of stereoisomers with the chemical formula C₁₂H₁₂BrN₃OS
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
324.988445104
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₂BrN₃OS
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1=N/C(=N\c2ccc(Br)cc2)SC1=C(C)NO
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CC1=N/C(=N\c2ccc(Br)cc2)SC1=C(C)NO
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H12BrN3OS/c1-7-11(8(2)16-17)18-12(14-7)15-10-5-3-9(13)4-6-10/h3-6,16-17H,1-2H3/b11-8?,15-12+
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InChIKey
FPAXMEIRXSFISA-ZZNILSDUSA-N
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CAS Registry Number
824397-02-6
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DSSTox substance ID
DTXSID20837931
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DSSTOX compound identifier
DTXCID40788673
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