Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H15ClNO2S.Br |
Molecular Weight | 400.718 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Br-].COC(=O)[C@H](C1=C(Cl)C=CC=C1)[N+]2=CC3=C(CC2)SC=C3
InChI
InChIKey=KEWLMQVQNGJIKW-RSAXXLAASA-M
InChI=1S/C16H15ClNO2S.BrH/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;/h2-5,7,9-10,15H,6,8H2,1H3;1H/q+1;/p-1/t15-;/m0./s1
Molecular Formula | C16H15ClNO2S |
Molecular Weight | 320.814 |
Charge | 1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | Br |
Molecular Weight | 79.904 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:52:29 GMT 2023
by
admin
on
Sat Dec 16 18:52:29 GMT 2023
|
Record UNII |
NNE7AU6LVL
|
Record Status |
Validated (UNII)
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Record Version |
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-
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NNE7AU6LVL
Created by
admin on Sat Dec 16 18:52:29 GMT 2023 , Edited by admin on Sat Dec 16 18:52:29 GMT 2023
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131873419
Created by
admin on Sat Dec 16 18:52:29 GMT 2023 , Edited by admin on Sat Dec 16 18:52:29 GMT 2023
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1396607-49-0
Created by
admin on Sat Dec 16 18:52:29 GMT 2023 , Edited by admin on Sat Dec 16 18:52:29 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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