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(Q82216800)
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English
2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
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
372.10785326000007
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₀N₄OS₂
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canonical SMILES
CC1=CC(=CC=C1)NC2=NN=C(S2)SCC(=O)C3=C(N(C(=C3)C)C)C
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Identifiers
InChI
InChI=1S/C18H20N4OS2/c1-11-6-5-7-14(8-11)19-17-20-21-18(25-17)24-10-16(23)15-9-12(2)22(4)13(15)3/h5-9H,10H2,1-4H3,(H,19,20)
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InChIKey
YJVDOCMTAJPVLI-UHFFFAOYSA-N
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CAS Registry Number
5707-48-2
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PubChem CID
5215903
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matched by identifier from
InChIKey
InChIKey
YJVDOCMTAJPVLI-UHFFFAOYSA-N
UniChem compound ID
46293075
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30410618
1 reference
matched by identifier from
InChIKey
InChIKey
YJVDOCMTAJPVLI-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90361470
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