Basic information
- CAS
111788-99-9- Standard SMILES
CCCCCOc1ccccc1C(=CSC)n1ccnc1- InChIKey
VWOIKFDZQQLJBJ-UHFFFAOYSA-N- Molecular formula
- C17H22N2OS
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.1452845
Names & identifiers
- Preferred name
- 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole
- IUPAC
- 1-[2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole
- English name
- NETICONAZOLE
- Molecular formula
- C17H22N2OS
- Molecular weight
- 302.43
Names & synonyms
1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole111788-99-91H-Imidazole, 1-[(1E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]-SCHEMBL150663DTXSID90861309FFA72668NS001261651-{2-(Methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethen-1-yl}-1H-imidazoleNeticonazole;1-[(E)-2-(Methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]-1H-imidazole;1-[(E)-2-(Methylthio)-1-[2-(pentyloxy)phenyl]vinyl]-1H-imidazole;1-[(E)-2-Methylthio-1-[2-(pentyloxy)phenyl]ethenyl]-1H-imidazole1H-Imidazole, 1-[2-(methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]-
Database identifiers
- CAS
111788-99-9- PubChem CID
- 4459
- DTXSID
DTXSID90861309
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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