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CHEBI:107431 - N-[3-[(4-chlorophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide

ChEBI IDCHEBI:107431
ChEBI NameN-[3-[(4-chlorophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide
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FormulaC21H17ClN2O2S
Net Charge0
Average Mass396.899
Monoisotopic Mass396.06993
SMILESO=C(Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCC2)c1cccnc1
InChIInChI=1S/C21H17ClN2O2S/c22-15-9-7-13(8-10-15)19(25)18-16-5-1-2-6-17(16)27-21(18)24-20(26)14-4-3-11-23-12-14/h3-4,7-12H,1-2,5-6H2,(H,24,26)
InChIKeySXVQPOKDBMQXIS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[3-[(4-chlorophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide (CHEBI:107431) is a aromatic ketone (CHEBI:76224)
Manual XrefsDatabases
LSM-18785LINCS