Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C17H17N3O2S.C4H4O4 |
| Molecular Weight | 443.473 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.CNCC1=CN(C(=C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CN=C3
InChI
InChIKey=YWLRODFLLUYGMK-WLHGVMLRSA-N
InChI=1S/C17H17N3O2S.C4H4O4/c1-18-11-14-10-17(15-6-3-2-4-7-15)20(13-14)23(21,22)16-8-5-9-19-12-16;5-3(6)1-2-4(7)8/h2-10,12-13,18H,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
| Molecular Formula | C17H17N3O2S |
| Molecular Weight | 327.401 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 19:55:13 GMT 2025
by
admin
on
Wed Apr 02 19:55:13 GMT 2025
|
| Record UNII |
EMQ2G5BYL7
|
| 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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66974492
Created by
admin on Wed Apr 02 19:55:13 GMT 2025 , Edited by admin on Wed Apr 02 19:55:13 GMT 2025
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928325-82-0
Created by
admin on Wed Apr 02 19:55:13 GMT 2025 , Edited by admin on Wed Apr 02 19:55:13 GMT 2025
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PRIMARY | |||
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EMQ2G5BYL7
Created by
admin on Wed Apr 02 19:55:13 GMT 2025 , Edited by admin on Wed Apr 02 19:55:13 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
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