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CHEBI:105765 - 2-[[1-oxo-2-[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoic acid methyl ester

ChEBI IDCHEBI:105765
ChEBI Name2-[[1-oxo-2-[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoic acid methyl ester
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DownloadsMolfile
FormulaC17H15N5O3S
Net Charge0
Average Mass369.406
Monoisotopic Mass369.08956
SMILESCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1
InChIInChI=1S/C17H15N5O3S/c1-25-16(24)12-6-2-3-7-13(12)19-14(23)10-26-17-20-15(21-22-17)11-5-4-8-18-9-11/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyRTQAQCXLYUVLAP-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)
2-[[1-oxo-2-[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoic acid methyl ester (CHEBI:105765) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
LSM-17127LINCS