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Acetamide, 2-[[4-cyano-1,6-diazatricyclo[6.2.2.0(2,7)]dodeca-2(7),3,5-trien-5-yl]thio]-N-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID ApUDO2vMEjG
InChI InChI=1S/C20H17F3N4OS/c21-20(22,23)14-2-1-3-15(9-14)25-17(28)11-29-19-13(10-24)8-16-18(26-19)12-4-6-27(16)7-5-12/h1-3,8-9,12H,4-7,11H2,(H,25,28)
InChIKey BCAFVZUSWHMWMG-UHFFFAOYSA-N
Mol Weight 418.44 g/mol
Molecular Formula C20H17F3N4OS
Exact Mass 418.107517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5fBKvzFkFb
Name Acetamide, 2-[[4-cyano-1,6-diazatricyclo[6.2.2.0(2,7)]dodeca-2(7),3,5-trien-5-yl]thio]-N-[3-(trifluoromethyl)phenyl]-
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Formula C20H17F3N4OS
InChI InChI=1S/C20H17F3N4OS/c21-20(22,23)14-2-1-3-15(9-14)25-17(28)11-29-19-13(10-24)8-16-18(26-19)12-4-6-27(16)7-5-12/h1-3,8-9,12H,4-7,11H2,(H,25,28)
InChIKey BCAFVZUSWHMWMG-UHFFFAOYSA-N
Molecular Weight 418.438 g/mol
SMILES N(C(CSc1nc2c(cc1C#N)N1CCC2CC1)=O)c1cccc(c1)C(F)(F)F
SPLASH splash10-0a59-5590000000-e5a53b75ce704a10f7a4
Source of Spectrum IY-1-4592-7
Wiley ID 1653910