IUPAC name
(2Z)-2-[[2-fluoro-5-(trifluoromethyl)phenyl]thio]-2-[3-(2-methoxyphenyl)-2-thiazolidinylidene]acetonitrile
SMILES
COc1ccccc1N1CCS/C/1=C(/C#N)\Sc1cc(ccc1F)C(F)(F)F
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
flutianil
IUPAC name
(2Z)-2-[[2-fluoro-5-(trifluoromethyl)phenyl]thio]-2-[3-(2-methoxyphenyl)-2-thiazolidinylidene]acetonitrile
SMILES
COc1ccccc1N1CCS/C/1=C(/C#N)\Sc1cc(ccc1F)C(F)(F)F
INCHI
InChI=1S/C19H14F4N2OS2/c1-26-15-5-3-2-4-14(15)25-8-9-27-18(25)17(11-24)28-16-10-12(19(21,22)23)6-7-13(16)20/h2-7,10H,8-9H2,1H3/b18-17-
FORMULA
C19H14F4N2OS2
Common name
flutianil
IUPAC name
(2Z)-2-[[2-fluoro-5-(trifluoromethyl)phenyl]thio]-2-[3-(2-methoxyphenyl)-2-thiazolidinylidene]acetonitrile
Molecular weight
426.451
clogP
5.165
clogS
-5.550
HBond Acceptor
3
HBond Donor
0
Total Polar
Surface Area
86.86
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00211 | anisole |
|
COc1ccccc1 | 0.0423 |
| FDBF00378 | fluorobenzene |
|
Fc1ccccc1 | 0.0237 |
| FDBF07145 | 2-(3-phenyl-1,3-thiazol-2-yl)acetonitrile |
|
n1(c(scc1)CC#N)c1ccccc1 | 0.0003 |
| FDBF07146 | 2-fluorobenzenethiol |
|
Sc1c(cccc1)F | 0.0003 |
6 ,
1
