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CHEBI:91630 - N-(4-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbothioamide

ChEBI IDCHEBI:91630
ChEBI NameN-(4-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbothioamide
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DownloadsMolfile
FormulaC20H21F3N4S
Net Charge0
Average Mass406.477
Monoisotopic Mass406.14390
SMILESCc1ccnc(NC(=S)N2CC3CN(c4cccc(C(F)(F)F)c4)CC3C2)c1
InChIInChI=1S/C20H21F3N4S/c1-13-5-6-24-18(7-13)25-19(28)27-11-14-9-26(10-15(14)12-27)17-4-2-3-16(8-17)20(21,22)23/h2-8,14-15H,9-12H2,1H3,(H,24,25,28)
InChIKeyKRIXABFYBRTIIS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(4-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbothioamide (CHEBI:91630) is a pyrrolidines (CHEBI:38260)
Manual XrefsDatabases
LSM-1456LINCS