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(Q82152468)
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English
N-(5-{[(2-Methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
386.0507323079999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₄N₄O₃S₂
0 references
canonical SMILES
CC1=CC=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C17H14N4O3S2/c1-11-4-2-3-5-13(11)10-25-17-20-19-16(26-17)18-15(22)12-6-8-14(9-7-12)21(23)24/h2-9H,10H2,1H3,(H,18,19,22)
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InChIKey
OCCHAZXSSVHBBJ-UHFFFAOYSA-N
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CAS Registry Number
4471-23-2
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PubChem CID
2200022
1 reference
matched by identifier from
InChIKey
InChIKey
OCCHAZXSSVHBBJ-UHFFFAOYSA-N
UniChem compound ID
4194595
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80366954
1 reference
matched by identifier from
InChIKey
InChIKey
OCCHAZXSSVHBBJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90317992
0 references
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