Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H21N2S2.Br |
| Molecular Weight | 445.439 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Br-].CCN1C(SC2=C1C=CC=C2)=CC=CC3=[N+](CC)C4=C(S3)C=CC=C4
InChI
InChIKey=XMMSIZBVTLPHSO-UHFFFAOYSA-M
InChI=1S/C21H21N2S2.BrH/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1
| 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 |
| Molecular Formula | C21H21N2S2 |
| Molecular Weight | 365.535 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:39:40 GMT 2023
by
admin
on
Sat Dec 16 18:39:40 GMT 2023
|
| Record UNII |
T46X9F9KFW
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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DTXSID50884973
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T46X9F9KFW
Created by
admin on Sat Dec 16 18:39:40 GMT 2023 , Edited by admin on Sat Dec 16 18:39:40 GMT 2023
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86561
Created by
admin on Sat Dec 16 18:39:40 GMT 2023 , Edited by admin on Sat Dec 16 18:39:40 GMT 2023
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17389-14-9
Created by
admin on Sat Dec 16 18:39:40 GMT 2023 , Edited by admin on Sat Dec 16 18:39:40 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
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