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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:84004 - (
S
)-triadimefon
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ChEBI Name
(
S
)-triadimefon
ChEBI ID
CHEBI:84004
ChEBI ASCII Name
(S)-triadimefon
Definition
A 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one that is the (
S
)-enantiomer of triadimefon.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C14H16ClN3O2
Net Charge
0
Average Mass
293.74900
Monoisotopic Mass
293.09310
InChI
InChI=1S/C14H16ClN3O2/c1-
14(2,3)
12(19)
13(18-
9-
16-
8-
17-
18)
20-
11-
6-
4-
10(15)
5-
7-
11/h4-
9,13H,1-
3H3/t13-
/m0/s1
InChIKey
WURBVZBTWMNKQT-ZDUSSCGKSA-N
SMILES
CC(C)(C)C(=O)[C@H](Oc1ccc(Cl)cc1)n1cncn1
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
S
)-triadimefon (
CHEBI:84004
)
is a
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one (
CHEBI:84002
)
(
S
)-triadimefon (
CHEBI:84004
)
is enantiomer of
(
R
)-triadimefon (
CHEBI:84003
)
Incoming
triadimefon (
CHEBI:9665
)
has part
(
S
)-triadimefon (
CHEBI:84004
)
(
R
)-triadimefon (
CHEBI:84003
)
is enantiomer of
(
S
)-triadimefon (
CHEBI:84004
)
IUPAC Name
(1
S
)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1
H
-1,2,4-triazol-1-yl)butan-2-one
Registry Numbers
Types
Sources
20863308
Reaxys Registry Number
Reaxys
89497-67-6
CAS Registry Number
ChemIDplus
Last Modified
04 December 2014