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(Q82156235)
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English
[1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
349.95470245200005
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₁BrN₂S₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CSC(=CC(=C(C#N)C#N)c1ccc(Br)cc1)SC
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H11BrN2S2/c1-18-14(19-2)7-13(11(8-16)9-17)10-3-5-12(15)6-4-10/h3-7H,1-2H3
0 references
InChIKey
DPKAMUBTPKPBFW-UHFFFAOYSA-N
0 references
CAS Registry Number
89482-72-4
0 references
PubChem CID
2724615
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
DPKAMUBTPKPBFW-UHFFFAOYSA-N
UniChem compound ID
7516183
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30369192
1 reference
matched by identifier from
InChIKey
InChIKey
DPKAMUBTPKPBFW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30320228
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