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(Q82006293)
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English
6-(2,2-Dicyanovinyl)-1-(2-(2-benzothiazolylthio)ethyl)-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline
chemical compound
Propanedinitrile, 2-[[1-[2-(2-benzothiazolylthio)ethyl]-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolinyl]methylene]-
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
444.618
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₂₄N₄S₂
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canonical SMILES
CC1CC(N(C2=C1C=C(C=C2)C=C(C#N)C#N)CCSC3=NC4=CC=CC=C4S3)(C)C
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Identifiers
InChI
InChI=1S/C25H24N4S2/c1-17-14-25(2,3)29(10-11-30-24-28-21-6-4-5-7-23(21)31-24)22-9-8-18(13-20(17)22)12-19(15-26)16-27/h4-9,12-13,17H,10-11,14H2,1-3H3
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InChIKey
KUWSCZAJGCYZFJ-UHFFFAOYSA-N
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CAS Registry Number
67752-53-8
reason for deprecated rank
applies to other chemical entity
intended subject of deprecated statement
1,2,3,4-tetrahydroquinolin-4-ylmethanol
0 references
65208-30-2
1 reference
InChIKey
KUWSCZAJGCYZFJ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=65208-30-2
PubChem CID
103325
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
61019195
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80275996
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DTXSID40886749
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DSSTOX compound identifier
DTXCID00227356
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DTXCID30876331
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NSC number
126909
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