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CHEBI:112306 - 3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid

ChEBI IDCHEBI:112306
ChEBI Name3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid
Stars
DownloadsMolfile
FormulaC21H16ClN3O2S
Net Charge0
Average Mass409.898
Monoisotopic Mass409.06518
SMILESCc1nn(-c2ccccc2)c(Cl)c1C=C(CC(=O)O)c1nc2ccccc2s1
InChIInChI=1S/C21H16ClN3O2S/c1-13-16(20(22)25(24-13)15-7-3-2-4-8-15)11-14(12-19(26)27)21-23-17-9-5-6-10-18(17)28-21/h2-11H,12H2,1H3,(H,26,27)
InChIKeyZVDIXTJKCNITLU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid (CHEBI:112306) is a pyrazoles (CHEBI:26410)
3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid (CHEBI:112306) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-23718LINCS