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3-Fluoro-N-[4-(4-fluorophenyl)-2-methylthio-5-(pyridin-4-yl)-1Himidazol-1-yl]-4-methylbenzamide
SpectraBase Compound ID GCd68aEhk95
InChI InChI=1S/C23H18F2N4OS/c1-14-3-4-17(13-19(14)25)22(30)28-29-21(16-9-11-26-12-10-16)20(27-23(29)31-2)15-5-7-18(24)8-6-15/h3-13H,1-2H3,(H,28,30)
InChIKey XQCDQBWVJDUTEB-UHFFFAOYSA-N
Mol Weight 436.48 g/mol
Molecular Formula C23H18F2N4OS
Exact Mass 436.116939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HhHgwmvZUoA
Name 3-Fluoro-N-[4-(4-fluorophenyl)-2-methylthio-5-(pyridin-4-yl)-1Himidazol-1-yl]-4-methylbenzamide
Alternate Name(s) 3-Fluoro-N-(4-(4-fluorophenyl)-2-(methylthio)-5-(pyridin-4-yl)-1H-imidazol-1-yl)-4-methylbenzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18F2N4OS
InChI InChI=1S/C23H18F2N4OS/c1-14-3-4-17(13-19(14)25)22(30)28-29-21(16-9-11-26-12-10-16)20(27-23(29)31-2)15-5-7-18(24)8-6-15/h3-13H,1-2H3,(H,28,30)
InChIKey XQCDQBWVJDUTEB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201000114
Molecular Weight 436.481 g/mol
SMILES N(C(c1cc(c(cc1)C)F)=O)[n]1c(c(nc1SC)-c1ccc(cc1)F)-c1ccncc1
SPLASH splash10-000i-0900200000-30021c00d4023d2d8d22
Source of Spectrum CMC-5-1139-11d
Wiley ID 1771706