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CHEBI:116487 - 3-[[2-[[5-[(4-cyanophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester

ChEBI IDCHEBI:116487
ChEBI Name3-[[2-[[5-[(4-cyanophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester
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DownloadsMolfile
FormulaC26H21N5O4S
Net Charge0
Average Mass499.552
Monoisotopic Mass499.13143
SMILESCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(C#N)cc3)n2-c2ccccc2)c1
InChIInChI=1S/C26H21N5O4S/c1-34-25(33)19-6-5-7-20(14-19)28-24(32)17-36-26-30-29-23(31(26)21-8-3-2-4-9-21)16-35-22-12-10-18(15-27)11-13-22/h2-14H,16-17H2,1H3,(H,28,32)
InChIKeyODLZATUUFMMQHH-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-[[5-[(4-cyanophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester (CHEBI:116487) is a amidobenzoic acid (CHEBI:48470)
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