Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H17F2N5OS |
| Molecular Weight | 437.465 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](O)(CN3C=NC=N3)C4=C(F)C=CC(F)=C4
InChI
InChIKey=DDFOUSQFMYRUQK-JLCFBVMHSA-N
InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22-/m1/s1
| Molecular Formula | C22H17F2N5OS |
| Molecular Weight | 437.465 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:34:45 GMT 2023
by
admin
on
Sat Dec 16 19:34:45 GMT 2023
|
| Record UNII |
B24ULD3D8X
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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| Code System | Code | Type | Description | ||
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1176988-44-5
Created by
admin on Sat Dec 16 19:34:45 GMT 2023 , Edited by admin on Sat Dec 16 19:34:45 GMT 2023
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9932792
Created by
admin on Sat Dec 16 19:34:45 GMT 2023 , Edited by admin on Sat Dec 16 19:34:45 GMT 2023
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PRIMARY | |||
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B24ULD3D8X
Created by
admin on Sat Dec 16 19:34:45 GMT 2023 , Edited by admin on Sat Dec 16 19:34:45 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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RACEMATE -> ENANTIOMER |
|
![Structure of 4-[2-[(1R,2S)-2-(2,5-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile, rel-](/img/68db6002-fc72-42b6-8422-928a2b4d1aaa.svg "Structure of 4-[2-[(1R,2S)-2-(2,5-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile, rel-")