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ChEBI
> Main
CHEBI:77905 - (
R
)-tioconazole
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ChEBI Name
(
R
)-tioconazole
ChEBI ID
CHEBI:77905
ChEBI ASCII Name
(R)-tioconazole
Definition
A 1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (
R
)-enantiomer of tioconazole.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C16H13Cl3N2OS
Net Charge
0
Average Mass
387.71100
Monoisotopic Mass
385.98142
InChI
InChI=1S/C16H13Cl3N2OS/c17-
12-
1-
2-
13(14(18)
7-
12)
15(8-
21-
5-
4-
20-
10-
21)
22-
9-
11-
3-
6-
23-
16(11)
19/h1-
7,10,15H,8-
9H2/t15-
/m0/s1
InChIKey
QXHHHPZILQDDPS-HNNXBMFYSA-N
SMILES
Clc1sccc1CO[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl
ChEBI Ontology
Outgoing
(
R
)-tioconazole (
CHEBI:77905
)
is a
1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole (
CHEBI:77898
)
Incoming
tioconazole (
CHEBI:9604
)
has part
(
R
)-tioconazole (
CHEBI:77905
)
IUPAC Name
1-[(2
R
)-2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1
H
-imidazole
Registry Number
Type
Source
6961340
Reaxys Registry Number
Reaxys
Last Modified
26 March 2014