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(Q82554921)
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English
{3-[(2,5-Dihydro-1H-pyrrol-1-yl)methyl]phenyl}[2-(methylsulfanyl)phenyl]methanone
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
309.11873522800005
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₁₉NOS
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canonical SMILES
CSC1=CC=CC=C1C(=O)C2=CC=CC(=C2)CN3CC=CC3
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Identifiers
InChI
InChI=1S/C19H19NOS/c1-22-18-10-3-2-9-17(18)19(21)16-8-6-7-15(13-16)14-20-11-4-5-12-20/h2-10,13H,11-12,14H2,1H3
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InChIKey
JNCKXAOYLPQKBZ-UHFFFAOYSA-N
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CAS Registry Number
898789-90-7
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PubChem CID
24725080
1 reference
matched by identifier from
InChIKey
InChIKey
JNCKXAOYLPQKBZ-UHFFFAOYSA-N
UniChem compound ID
23899461
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00643476
1 reference
matched by identifier from
InChIKey
InChIKey
JNCKXAOYLPQKBZ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50594227
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