Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C17H13N3O4S2 |
| Molecular Weight | 387.433 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(NC(=O)CC#N)C=C3)S(O)(=O)=O
InChI
InChIKey=ITAIHDRPLZCUND-UHFFFAOYSA-N
InChI=1S/C17H13N3O4S2/c1-10-2-7-13-15(16(10)26(22,23)24)25-17(20-13)11-3-5-12(6-4-11)19-14(21)8-9-18/h2-7H,8H2,1H3,(H,19,21)(H,22,23,24)
| Molecular Formula | C17H13N3O4S2 |
| Molecular Weight | 387.433 |
| Charge | 0 |
| 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
Wed Apr 02 19:46:33 GMT 2025
by
admin
on
Wed Apr 02 19:46:33 GMT 2025
|
| Record UNII |
4HBC337FKK
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Preferred Name | English | ||
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| Code System | Code | Type | Description | ||
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81235
Created by
admin on Wed Apr 02 19:46:33 GMT 2025 , Edited by admin on Wed Apr 02 19:46:33 GMT 2025
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4HBC337FKK
Created by
admin on Wed Apr 02 19:46:33 GMT 2025 , Edited by admin on Wed Apr 02 19:46:33 GMT 2025
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61791-85-3
Created by
admin on Wed Apr 02 19:46:33 GMT 2025 , Edited by admin on Wed Apr 02 19:46:33 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
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![Structure of Sodium 2-[4-(2-cyanoacetamido)phenyl]-6-methylbenzothiazole-7-sulfonate](/img/605def69-3478-4c58-9393-d2e0fd9d3e12.svg "Structure of Sodium 2-[4-(2-cyanoacetamido)phenyl]-6-methylbenzothiazole-7-sulfonate")