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(Q82064771)
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English
2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
362.4692
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₈N₂O₃S₂
0 references
canonical SMILES
CS(=O)(=O)OCCSC1=NC2=CC=CC=C2N1CC3=CC=CC=C3
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Identifiers
InChI
InChI=1S/C17H18N2O3S2/c1-24(20,21)22-11-12-23-17-18-15-9-5-6-10-16(15)19(17)13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3
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InChIKey
LGWQPGHRROTREB-UHFFFAOYSA-N
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CAS Registry Number
77168-18-4
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PubChem CID
321547
1 reference
matched by identifier from
InChIKey
InChIKey
LGWQPGHRROTREB-UHFFFAOYSA-N
UniChem compound ID
68235144
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70313619
1 reference
matched by identifier from
InChIKey
InChIKey
LGWQPGHRROTREB-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20264743
0 references
NSC number
273389
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