Systematic / IUPAC Name: (5-{2-[(3-Chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl}-1H-pyrazol-1-yl)(cyclopropyl)methanone
ID: Reference4341
Other Names: Methanone, (5-{2-[(3-chlorophenoxy)methyl]-4-methyl-5-thiazolyl}-1H-pyrazol-1-yl)cyclopropyl-
Formula: C18H16ClN3O2S
(5-{2-[(3-Chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl}-1H-pyrazol-1-yl)(cyclopropyl)methanone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 1 |
No. of Spectra | 119 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 3/22/2016 2:01:43 PM |
InChI | InChI=1S/C18H16ClN3O2S/c1-11-17(15-7-8-20-22(15)18(23)12-5-6-12)25-16(21-11)10-24-14-4-2-3-13(19)9-14/h2-4,7-9,12H,5-6,10H2,1H3 |
InChI Key | JYRJBCXLRUNPOX-UHFFFAOYSA-N |
Canonical SMILES | CC1=C(SC(=N1)COC2=CC(=CC=C2)Cl)C3=CC=NN3C(=O)C4CC4 |
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Other Names | Methanone, (5-{2-[(3-chlorophenoxy)methyl]-4-methyl-5-thiazolyl}-1H-pyrazol-1-yl)cyclopropyl- |