Epoxiconazole

Synonyms: Epoxiconazole, "1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole", "(2RS,3SR)-1-[3-(2-Chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl]-1H-1,2,4-triazole", "1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole", "epociconazole", "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole"

Source: epoxiconazole is a broad-spectrum systemic fungicide used to control a wide range of fungal diseases.

Identifiers:

IUPAC Name: 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
CAS Number: 135319-73-2
PubChem ID: 3317081
InChiKey: ZMYFCFLJBGAQRS-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C(=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl

Structural Properties:

Molecular Formula: C₁₇H₁₃ClFN₃O
Molecular Weight: 329,800

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 23

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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