Penthiopyrad

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Systematic / IUPAC Name: 1-Methyl-N-[2-(4-methyl-2-pentanyl)-3-thienyl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide

ID: Reference1148

Other Names: 1H-Pyrazole-4-carboxamide, N-[2-(1,3-dimethylbutyl)-3-thienyl]-1-methyl-3-(trifluoromethyl)-

Formula: C16H20F3N3OS

Class: Pesticides/Herbicides

Spectral Data

Penthiopyrad mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 41
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/5/2014 9:43:39 AM
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Identificators

InChI InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)
InChI Key PFFIDZXUXFLSSR-UHFFFAOYSA-N
Canonical SMILES CC(C)CC(C)C1=C(C=CS1)NC(=O)C2=CN(N=C2C(F)(F)F)C
CAS 183675823
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Other Names 1H-Pyrazole-4-carboxamide, N-[2-(1,3-dimethylbutyl)-3-thienyl]-1-methyl-3-(trifluoromethyl)-

In Other Databases

ChEMBL CHEMBL2251844
KEGG C18482
Wikipedia Penthiopyrad (DE)
ChemSpider 9563463
PubChem 11388558