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CHEBI:105644 - 4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-one

ChEBI IDCHEBI:105644
ChEBI Name4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-one
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DownloadsMolfile
FormulaC16H13ClN2OS
Net Charge0
Average Mass316.813
Monoisotopic Mass316.04371
SMILESCc1nn(-c2ccccc2)c(=O)c1Sc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2OS/c1-11-15(21-14-9-7-12(17)8-10-14)16(20)19(18-11)13-5-3-2-4-6-13/h2-10,18H,1H3
InChIKeyRAJDNSGRBFIOLG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-one (CHEBI:105644) is a pyrazoles (CHEBI:26410)
4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-one (CHEBI:105644) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-17007LINCS