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CHEBI:115690 - 1-[3-(2-furanyl)-7-(2-furanylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone

ChEBI IDCHEBI:115690
ChEBI Name1-[3-(2-furanyl)-7-(2-furanylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone
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DownloadsMolfile
FormulaC21H21N5O3S
Net Charge0
Average Mass423.498
Monoisotopic Mass423.13651
SMILESCn1cnnc1SCC(=O)N1N=C2C(=Cc3ccco3)CCCC2C1c1ccco1
InChIInChI=1S/C21H21N5O3S/c1-25-13-22-23-21(25)30-12-18(27)26-20(17-8-4-10-29-17)16-7-2-5-14(19(16)24-26)11-15-6-3-9-28-15/h3-4,6,8-11,13,16,20H,2,5,7,12H2,1H3
InChIKeyXSOOYTWLQLUBLV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[3-(2-furanyl)-7-(2-furanylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone (CHEBI:115690) is a aryl sulfide (CHEBI:35683)
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LSM-27147LINCS