| Code/trivial name(a) | IUPAC name/SMILES notation/InChiKey(b) | Structural formula(c) |
|---|---|---|
| Prothioconazole |
(RS)‐2‐[2‐(1‐chlorocyclopropyl)‐3‐(2‐chlorophenyl)‐2‐hydroxypropyl]‐2,4‐dihydro‐1,2,4‐triazole‐3‐thione S=C1N=CNN1CC(O)(Cc1ccccc1Cl)C1(Cl)CC1 MNHVNIJQQRJYDH‐UHFFFAOYSA‐N |
|
| Prothioconazole‐desthio (M04) |
(2RS)‐(1‐chlorocyclopropyl)‐1‐(2‐chlorophenyl)‐3‐(1H‐1,2,4‐triazol‐1‐yl)‐2‐propanol OC(Cn1cncn1)(Cc1ccccc1Cl)C1(Cl)CC1 HHUQPWODPBDTLI‐UHFFFAOYSA‐N |
|
| Prothioconazole‐3 hydroxy‐desthio (M14) |
2‐chloro‐3‐[(2RS)‐2‐(1‐chlorocyclopropyl)‐2‐hydroxy‐3‐(1H‐1,2,4‐triazol‐1‐yl)propyl]phenol OC(Cn1cncn1)(Cc1cccc(O)c1Cl)C1(Cl)CC1 OSFCZDFLHQXWKG‐UHFFFAOYSA‐N |
|
| Prothioconazole‐4 hydroxy‐desthio (M15) |
3‐chloro‐4‐[(2RS)‐2‐(1‐chlorocyclopropyl)‐2‐hydroxy‐3‐(1H‐1,2,4‐triazol‐1‐yl)propyl]phenol OC(Cn1cncn1)(Cc1ccc(O)cc1Cl)C1(Cl)CC1 YZPNFTVYLXGBPC‐UHFFFAOYSA‐N |
|
| Prothioconazole‐5 hydroxy‐desthio (M16) |
4‐chloro‐3‐[(2RS)‐2‐(1‐chlorocyclopropyl)‐2‐hydroxy‐3‐(1H‐1,2,4‐triazol‐1‐yl)propyl]phenol OC(Cn1cncn1)(Cc1cc(O)ccc1Cl)C1(Cl)CC1 SNUVNTFOEHWABV‐UHFFFAOYSA‐N |
|
| Prothioconazole‐6 hydroxy‐desthio (M17) |
3‐chloro‐2‐[(2RS)‐2‐(1‐chlorocyclopropyl)‐2‐hydroxy‐3‐(1H‐1,2,4‐triazol‐1‐yl)propyl]phenol OC(Cn1cncn1)(Cc1c(O)cccc1Cl)C1(Cl)CC1 JQRBOBUTGZOYBJ‐UHFFFAOYSA‐N |
|
| Prothioconazole‐α‐hydroxy‐desthio (M18) |
(1RS,2RS;1RS,2SR)‐ 2‐(1‐chlorocyclopropyl)‐1‐(2‐chlorophenyl)‐3‐(1H‐1,2,4‐triazol‐1‐yl)propane‐1,2‐diol OC(Cn1cncn1)(C(O)c1ccccc1Cl)C1(Cl)CC1 JOFJRMIXOWNPNA‐UHFFFAOYSA‐N |
|
| Triazole derivative metabolites | ||
|
1,2,4‐triazole (1,2,4‐T) |
1H‐1,2,4‐triazole c1ncnn1 NSPMIYGKQJPBQR‐UHFFFAOYSA‐N |
|
|
Triazole alanine (TA) |
3‐(1H‐1,2,4‐triazol‐1‐yl)‐D,L‐alanine NC(Cn1cncn1)C(=O)O XVWFTOJHOHJIMQ‐UHFFFAOYSA‐N |
|
|
Triazole acetic acid (TAA) |
1H‐1,2,4‐triazol‐1‐ylacetic acid O=C(O)Cn1cncn1 RXDBSQXFIWBJSR‐UHFFFAOYSA‐N |
|
|
Triazole lactic acid or triazole hydroxy propionic acid (TLA) |
(2RS)‐2‐hydroxy‐3‐(1H‐1,2,4‐triazol‐1‐yl)propanoic acid OC(Cn1cncn1)C(=O)O KJRGHGWETVMENC‐UHFFFAOYSA‐N |
|
IUPAC: International Union of Pure and Applied Chemistry; SMILES: simplified molecular‐input line‐entry system; InChiKey: International Chemical Identifier Key.
(a) The metabolite name in bold is the name used in the conclusion.