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CHEBI:121544 - 2-[[5-[[2-(3-chloroanilino)-4-thiazolyl]methyl]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester

ChEBI IDCHEBI:121544
ChEBI Name2-[[5-[[2-(3-chloroanilino)-4-thiazolyl]methyl]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester
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FormulaC19H22ClN5O3S2
Net Charge0
Average Mass468.004
Monoisotopic Mass467.08526
SMILESCOCCCn1c(Cc2csc(Nc3cccc(Cl)c3)n2)nnc1SCC(=O)OC
InChIInChI=1S/C19H22ClN5O3S2/c1-27-8-4-7-25-16(23-24-19(25)30-12-17(26)28-2)10-15-11-29-18(22-15)21-14-6-3-5-13(20)9-14/h3,5-6,9,11H,4,7-8,10,12H2,1-2H3,(H,21,22)
InChIKeyFMRHPEFTSDIZEM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[5-[[2-(3-chloroanilino)-4-thiazolyl]methyl]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester (CHEBI:121544) is a aryl sulfide (CHEBI:35683)
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