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CHEBI:104166 - [4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]-(4-nitrophenyl)methanone

ChEBI IDCHEBI:104166
ChEBI Name[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]-(4-nitrophenyl)methanone
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FormulaC19H21N3O3S
Net Charge0
Average Mass371.462
Monoisotopic Mass371.13036
SMILESCSc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1
InChIInChI=1S/C19H21N3O3S/c1-26-18-8-2-15(3-9-18)14-20-10-12-21(13-11-20)19(23)16-4-6-17(7-5-16)22(24)25/h2-9H,10-14H2,1H3
InChIKeyRBIMEIXDDYSEGP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]-(4-nitrophenyl)methanone (CHEBI:104166) is a C-nitro compound (CHEBI:35716)
Manual XrefsDatabases
LSM-15530LINCS