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CHEBI:105740 - 4-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester

ChEBI IDCHEBI:105740
ChEBI Name4-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
Stars
DownloadsMolfile
FormulaC19H20N4O3S2
Net Charge0
Average Mass416.528
Monoisotopic Mass416.09768
SMILESCCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2CC)cc1
InChIInChI=1S/C19H20N4O3S2/c1-3-23-17(15-6-5-11-27-15)21-22-19(23)28-12-16(24)20-14-9-7-13(8-10-14)18(25)26-4-2/h5-11H,3-4,12H2,1-2H3,(H,20,24)
InChIKeySJHXRRPFDDTNPC-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-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester (CHEBI:105740) is a amidobenzoic acid (CHEBI:48470)
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