Molecular properties
- Formula
- C15H17ClN4
- Molar mass
- 288.78 g·mol−1
- Exact mass
- 288.1142 Da
- 9
- PubChem CID
- 6336
Molecule record
2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
C15H17ClN4
288.78 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Aryl halide
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- (+-)-Myclobutanil
- 1H-1,2,4-Triazole-1-propanenitrile, alpha-butyl-alpha-(4-chlorophenyl)-
- 2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(4-chlorophenyl)hexanenitrile
- 2-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile
- 2-p-Chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile
- 88671-89-0
- B6T1JTM6KZ
- CHEBI:75281
Show all 24 synonyms
- CHEBI:83729
- DTXCID304315
- DTXSID8024315
- HOE 39304F
- MFCD00144818
- MYCLOBUTANIL
- Nova
- Nova (pesticide)
- Nova W
- RH 3866
- Rally
- RefChem:160293
- Synthane 12E
- Systhane
- Systhane 6 Flo
- alpha-Butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile
Structure identifiers
- Canonical SMILES
- CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1
- Isomeric SMILES
- CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl
- 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
- InChIKey
- HZJKXKUJVSEEFU-UHFFFAOYSA-N
- PubChem CID
- 6336
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.