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CHEBI:108192 - 3-[[2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid

ChEBI IDCHEBI:108192
ChEBI Name3-[[2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid
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DownloadsMolfile
FormulaC21H22N4O4S
Net Charge0
Average Mass426.498
Monoisotopic Mass426.13618
SMILESCCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C21H22N4O4S/c1-3-25-18(12-29-17-9-4-6-14(2)10-17)23-24-21(25)30-13-19(26)22-16-8-5-7-15(11-16)20(27)28/h4-11H,3,12-13H2,1-2H3,(H,22,26)(H,27,28)
InChIKeyFFNMJQUQMUHELR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-[[2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid (CHEBI:108192) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
LSM-19569LINCS