IUPAC name
(E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
SMILES
CC(C)(C)C(/C(=C\c1ccc(cc1Cl)Cl)/n1cncn1)O
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
diniconazole
IUPAC name
(E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
SMILES
CC(C)(C)C(/C(=C\c1ccc(cc1Cl)Cl)/n1cncn1)O
INCHI
InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+
FORMULA
C15H17Cl2N3O
Common name
diniconazole
IUPAC name
(E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
Molecular weight
326.221
clogP
3.273
clogS
-3.779
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
50.94
Number of Rings
2
Rotatable Bond
4
