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(Q83018138)
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English
Acetic acid, ((5-((6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-1-(4-methoxyphenyl)-1H-1,3,4-triazol-2-yl)thio)-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
496.13175950000004
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₆H₂₀N₆O₃S
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canonical SMILES
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)CN3C4=CC=CC=C4C5=NC6=CC=CC=C6N=C53
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Identifiers
InChI
InChI=1S/C26H20N6O3S/c1-35-17-12-10-16(11-13-17)32-22(29-30-26(32)36-15-23(33)34)14-31-21-9-5-2-6-18(21)24-25(31)28-20-8-4-3-7-19(20)27-24/h2-13H,14-15H2,1H3,(H,33,34)
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InChIKey
HPIVJCLHALCYFH-UHFFFAOYSA-N
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CAS Registry Number
116989-77-6
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PubChem CID
3088138
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UniChem compound ID
49440890
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60151643
1 reference
matched by identifier from
InChIKey
InChIKey
HPIVJCLHALCYFH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID0074134
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