Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C16H18ClNO2S |
| Molecular Weight | 323.838 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(CN(C(=O)CCl)C2=C(C)C=CC=C2C)SC=C1
InChI
InChIKey=KDWQYMVPYJGPHS-UHFFFAOYSA-N
InChI=1S/C16H18ClNO2S/c1-11-5-4-6-12(2)16(11)18(15(19)9-17)10-14-13(20-3)7-8-21-14/h4-8H,9-10H2,1-3H3
| Molecular Formula | C16H18ClNO2S |
| Molecular Weight | 323.838 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | 2006-11 |
|
| Screening for estrogen and androgen receptor activities in 200 pesticides by in vitro reporter gene assays using Chinese hamster ovary cells. | 2004-04 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 19:32:51 GMT 2025
by
admin
on
Mon Mar 31 19:32:51 GMT 2025
|
| Record UNII |
T8ET5RE8I8
|
| Record Status |
Validated (UNII)
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| Record Version |
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Preferred Name | English | ||
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| Code System | Code | Type | Description | ||
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96491-05-3
Created by
admin on Mon Mar 31 19:32:51 GMT 2025 , Edited by admin on Mon Mar 31 19:32:51 GMT 2025
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DTXSID0058227
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admin on Mon Mar 31 19:32:51 GMT 2025 , Edited by admin on Mon Mar 31 19:32:51 GMT 2025
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T8ET5RE8I8
Created by
admin on Mon Mar 31 19:32:51 GMT 2025 , Edited by admin on Mon Mar 31 19:32:51 GMT 2025
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443036
Created by
admin on Mon Mar 31 19:32:51 GMT 2025 , Edited by admin on Mon Mar 31 19:32:51 GMT 2025
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thenylchlor
Created by
admin on Mon Mar 31 19:32:51 GMT 2025 , Edited by admin on Mon Mar 31 19:32:51 GMT 2025
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PRIMARY |