Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C22H17F2N5OS |
| Molecular Weight | 437.465 |
| Optical Activity | ( + / - ) |
| 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-FPTDNZKUSA-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-/m0/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 19:55:44 GMT 2023
by
admin
on
Sat Dec 16 19:55:44 GMT 2023
|
| Record UNII |
DCE3XV8M6Y
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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DCE3XV8M6Y
Created by
admin on Sat Dec 16 19:55:44 GMT 2023 , Edited by admin on Sat Dec 16 19:55:44 GMT 2023
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1797905-83-9
Created by
admin on Sat Dec 16 19:55:44 GMT 2023 , Edited by admin on Sat Dec 16 19:55:44 GMT 2023
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92043107
Created by
admin on Sat Dec 16 19:55:44 GMT 2023 , Edited by admin on Sat Dec 16 19:55:44 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ENANTIOMER -> RACEMATE |
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![Structure of 4-[2-[(1S,2R)-2-(2,5-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile](/img/e2e5eed5-606d-40f7-ac21-451112ed492f.svg "Structure of 4-[2-[(1S,2R)-2-(2,5-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile")