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CHEBI:116802 - 1-(3-methoxyphenyl)-2-[[4-methyl-5-[[(4-phenyl-2-thiazolyl)amino]methyl]-1,2,4-triazol-3-yl]thio]ethanone

ChEBI IDCHEBI:116802
ChEBI Name1-(3-methoxyphenyl)-2-[[4-methyl-5-[[(4-phenyl-2-thiazolyl)amino]methyl]-1,2,4-triazol-3-yl]thio]ethanone
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FormulaC22H21N5O2S2
Net Charge0
Average Mass451.577
Monoisotopic Mass451.11367
SMILESCOc1cccc(C(=O)CSc2nnc(CNc3nc(-c4ccccc4)cs3)n2C)c1
InChIInChI=1S/C22H21N5O2S2/c1-27-20(12-23-21-24-18(13-30-21)15-7-4-3-5-8-15)25-26-22(27)31-14-19(28)16-9-6-10-17(11-16)29-2/h3-11,13H,12,14H2,1-2H3,(H,23,24)
InChIKeyCLJCLMSXOJHAFL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(3-methoxyphenyl)-2-[[4-methyl-5-[[(4-phenyl-2-thiazolyl)amino]methyl]-1,2,4-triazol-3-yl]thio]ethanone (CHEBI:116802) is a aromatic ketone (CHEBI:76224)
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