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Search term: YFTPVAFIRHQNMI-UHFFFAOYAH
Found by InChIKey (full match)
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Inherent Properties, Identifiers and References
ChemSpider ID: 3682835
Empirical Formula: C22H11BrF3N3O2S
Molecular Weight: 518.3058
Nominal Mass: 517 Da
Average Mass: 518.3058 Da
Monoisotopic Mass: 516.970736 Da
Systematic Name: 2-(4-bromophenyl)-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}met​hylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
SMILES: FC(F)(F)c1cccc(c1)c2oc(cc2)C=C3Sc4nc(nn4C3=O)c5ccc(Br)cc5 Copy
InChI: InChI=1/C22H11BrF3N3O2S/c23-15-6-4-12(5-7-15)19-27-21-29(28-19)20​(30)18(32-21)11-16-8-9-17(31-16)13-2-1-3-14(10-13)22(24,25)26/h1-​11H Copy
InChIKey: YFTPVAFIRHQNMI-UHFFFAOYAH
Std. InChI: InChI=1S/C22H11BrF3N3O2S/c23-15-6-4-12(5-7-15)19-27-21-29(28-19)2​0(30)18(32-21)11-16-8-9-17(31-16)13-2-1-3-14(10-13)22(24,25)26/h1​-11H Copy
Std. InChIKey: YFTPVAFIRHQNMI-UHFFFAOYSA-N
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