Myclobutanil

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Systematic / IUPAC Name: 2-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile

ID: Reference1089

Other Names: 2-p-Chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile;
α-Butyl-α-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile;
1H-1,2,4-Triazole-1-propanenitrile, α-butyl-α-(4-chlorophenyl)-;
Systhane;
Rally ; more

Formula: C15H17ClN4

Class: Therapeutics/Prescription Drugs

Spectral Data

Myclobutanil 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 LTQ Orbitrap XL; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 185
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/12/2014 10:51:14 AM
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Identificators

InChI InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3
InChI Key HZJKXKUJVSEEFU-UHFFFAOYSA-N
Canonical SMILES CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl
CAS 88671890
Splash
Other Names 2-p-Chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile;
α-Butyl-α-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile;
1H-1,2,4-Triazole-1-propanenitrile, α-butyl-α-(4-chlorophenyl)-;
Systhane;
Rally;
Systhane 6 ;
Nova W;
M-flow

In Other Databases

ChEMBL CHEMBL1904430
ChEBI CHEBI:75281
ChemIDPlus 088671890; 107452095; 107452108
KEGG C18477
PubChem 6336
ChemSpider 6096
Wikipedia Myclobutanil