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1-[2-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-thiazol-5-yl]ethanone

View entire compound with spectra: 1 MS (GC)

1-[2-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-thiazol-5-yl]ethanone
SpectraBase Compound ID I3pxBAlvu7I
InChI InChI=1S/C26H23F2N3OS/c1-15-25(16(2)32)33-26(29-15)31-24(18-8-12-21(28)13-9-18)22-5-3-4-19(23(22)30-31)14-17-6-10-20(27)11-7-17/h6-14,22,24H,3-5H2,1-2H3/b19-14+
InChIKey XFNWMGBBUYGBNP-XMHGGMMESA-N
Mol Weight 463.55 g/mol
Molecular Formula C26H23F2N3OS
Exact Mass 463.15299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XDhecnn6nX
Name 1-[2-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-thiazol-5-yl]ethanone
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Formula C26H23F2N3OS
InChI InChI=1S/C26H23F2N3OS/c1-15-25(16(2)32)33-26(29-15)31-24(18-8-12-21(28)13-9-18)22-5-3-4-19(23(22)30-31)14-17-6-10-20(27)11-7-17/h6-14,22,24H,3-5H2,1-2H3/b19-14+
InChIKey XFNWMGBBUYGBNP-XMHGGMMESA-N
Molecular Weight 463.547 g/mol
SMILES c1(\C=C\2C=3C(CCC2)C(c2ccc(cc2)F)N(c2sc(c(n2)C)C(C)=O)N3)ccc(F)cc1
SPLASH splash10-0r0r-2930100000-ec325490ca6833ee8555
Synonyms 1-[2-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethanone 1-[2-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-5-thiazolyl]ethanone 1-[2-[(7E)-7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-thiazol-5-yl]ethanone
Wiley ID 1463802