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(Q82155634)
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English
N-benzyl-3-(benzylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-imine
group of stereoisomers with the chemical formula C₂₅H₂₁N₃O₂S
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
427.135447912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₂₁N₃O₂S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C(=Nn1c(-c2ccc3c(c2)OCCO3)cs/c1=N\Cc1ccccc1)c1ccccc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C(=Nn1c(-c2ccc3c(c2)OCCO3)cs/c1=N\Cc1ccccc1)c1ccccc1
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Identifiers
InChI
InChI=1S/C25H21N3O2S/c1-3-7-19(8-4-1)16-26-25-28(27-17-20-9-5-2-6-10-20)22(18-31-25)21-11-12-23-24(15-21)30-14-13-29-23/h1-12,15,17-18H,13-14,16H2/b26-25-,27-17?
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InChIKey
DRPPUEFNBCZZTQ-VFOCQPKNSA-N
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CAS Registry Number
5442-81-9
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DSSTox substance ID
DTXSID70368806
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DSSTOX compound identifier
DTXCID80319844
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