Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C16H17N3O2S |
| Molecular Weight | 315.39 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC2=C(NC(=N2)[S+]([O-])CC3=NC=C(C)C=C3C)C=C1
InChI
InChIKey=ZMXZYNHJPJEPAE-UHFFFAOYSA-N
InChI=1S/C16H17N3O2S/c1-10-6-11(2)15(17-8-10)9-22(20)16-18-13-5-4-12(21-3)7-14(13)19-16/h4-8H,9H2,1-3H3,(H,18,19)
| Molecular Formula | C16H17N3O2S |
| Molecular Weight | 315.39 |
| 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
Mon Mar 31 22:58:45 GMT 2025
by
admin
on
Mon Mar 31 22:58:45 GMT 2025
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| Record UNII |
0S4HQG5KFN
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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46781146
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110374-16-8
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1A00060
Created by
admin on Mon Mar 31 22:58:45 GMT 2025 , Edited by admin on Mon Mar 31 22:58:45 GMT 2025
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0S4HQG5KFN
Created by
admin on Mon Mar 31 22:58:45 GMT 2025 , Edited by admin on Mon Mar 31 22:58:45 GMT 2025
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| Related Record | Type | Details | ||
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PARENT -> IMPURITY | |||
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PARENT -> IMPURITY |
