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CHEBI:121566 - 4-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester

ChEBI IDCHEBI:121566
ChEBI Name4-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
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DownloadsMolfile
FormulaC19H19N5O3S
Net Charge0
Average Mass397.460
Monoisotopic Mass397.12086
SMILESCCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1
InChIInChI=1S/C19H19N5O3S/c1-3-27-18(26)14-4-6-15(7-5-14)21-16(25)12-28-19-23-22-17(24(19)2)13-8-10-20-11-9-13/h4-11H,3,12H2,1-2H3,(H,21,25)
InChIKeyXXGVEGOHLBTMHG-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)
4-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester (CHEBI:121566) is a amidobenzoic acid (CHEBI:48470)
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