IUPAC name
N-ethyl-N-propyl-3-(propylsulfonyl)-1H-1,2,4-triazole-1-carboxamide
SMILES
CCCN(CC)C(=O)n1cnc(n1)S(=O)(=O)CCC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
epronaz
IUPAC name
N-ethyl-N-propyl-3-(propylsulfonyl)-1H-1,2,4-triazole-1-carboxamide
SMILES
CCCN(CC)C(=O)n1cnc(n1)S(=O)(=O)CCC
INCHI
InChI=1S/C11H20N4O3S/c1-4-7-14(6-3)11(16)15-9-12-10(13-15)19(17,18)8-5-2/h9H,4-8H2,1-3H3
FORMULA
C11H20N4O3S
Common name
epronaz
IUPAC name
N-ethyl-N-propyl-3-(propylsulfonyl)-1H-1,2,4-triazole-1-carboxamide
Molecular weight
288.366
clogP
-0.030
clogS
-2.277
HBond Acceptor
5
HBond Donor
0
Total Polar Surface Area
85.16
Number of Rings
1
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF00317 | (dihydroxy-λ3-sulfanyl)methane |
|
C[S](O)O | 0.0141 |
| FDBF00325 | 1-(dihydroxy-λ3-sulfanyl)propane |
|
C(CC)[S](O)O | 0.0010 |
| FDBF05826 | N-ethyl-BLAHcyclopenta-2,4-diene-1-carboxamide |
|
CCNC(=O)N1N=CN=C1 | 0.0007 |
| FDBF06071 | N-methyl-BLAHcyclopenta-2,4-diene-1-carboxamide |
|
N(C(=O)N1N=CN=C1)C | 0.0003 |
| FDBF06072 | N-propyl-BLAHcyclopenta-2,4-diene-1-carboxamide |
|
N(C(=O)N1N=CN=C1)CCC | 0.0003 |
| FDBF06074 | N-ethyl-N-methyl-BLAHcyclopenta-2,4-diene-1-carboxamide |
|
C(C)N(C(=O)N1N=CN=C1)C | 0.0003 |
8 ,
1
