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(Q82308682)
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English
Benzothiazole, 2-[[(1,5-diphenyl-1H-1,2,4-triazol-3-yl)methyl]thio]-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
400.5222
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₁₆N₄S₂
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canonical SMILES
C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)CSC4=NC5=CC=CC=C5S4
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Identifiers
InChI
InChI=1S/C22H16N4S2/c1-3-9-16(10-4-1)21-24-20(25-26(21)17-11-5-2-6-12-17)15-27-22-23-18-13-7-8-14-19(18)28-22/h1-14H,15H2
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InChIKey
VHDJWEVPVGGBFL-UHFFFAOYSA-N
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CAS Registry Number
651714-06-6
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PubChem CID
12065588
1 reference
matched by identifier from
InChIKey
InChIKey
VHDJWEVPVGGBFL-UHFFFAOYSA-N
UniChem compound ID
51304752
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80476820
1 reference
matched by identifier from
InChIKey
InChIKey
VHDJWEVPVGGBFL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80427630
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