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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
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-

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

HIDE SMILES / InChI

Approval Year

Name Type Language
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-
Systematic Name English
Benzonitrile, 4-[2-[(1R,2S)-2-(2,5-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]-, rel-
Systematic Name English
rel-4-[2-[(1R,2S)-2-(2,5-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile
Systematic Name English
Code System Code Type Description
FDA UNII
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
PRIMARY
CAS
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
PRIMARY
PUBCHEM
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
PRIMARY