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Details

Stereochemistry RACEMIC
Molecular Formula C17H13Cl2N3O3S
Molecular Weight 410.274
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-1,2,4-Triazole, 1-[[(2R,4R,5R)-4-(2,4-dichlorophenyl)-2-oxido-5-phenyl-1,3,2-dioxathiolan-4-yl]methyl]-, rel-

SMILES

[O-][S@+]1O[C@@H](C2=CC=CC=C2)[C@](CN3C=NC=N3)(O1)C4=C(Cl)C=C(Cl)C=C4

InChI

InChIKey=OLIQJKKFJSYEAY-ZDXGUKGBSA-N
InChI=1S/C17H13Cl2N3O3S/c18-13-6-7-14(15(19)8-13)17(9-22-11-20-10-21-22)16(24-26(23)25-17)12-4-2-1-3-5-12/h1-8,10-11,16H,9H2/t16-,17+,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H13Cl2N3O3S
Molecular Weight 410.274
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:37:26 GMT 2023
Edited
by admin
on Sat Dec 16 10:37:26 GMT 2023
Record UNII
Y9J37A8NX2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-1,2,4-Triazole, 1-[[(2R,4R,5R)-4-(2,4-dichlorophenyl)-2-oxido-5-phenyl-1,3,2-dioxathiolan-4-yl]methyl]-, rel-
Systematic Name English
1H-1,2,4-Triazole, 1-[[4-(2,4-dichlorophenyl)-2-oxido-5-phenyl-1,3,2-dioxathiolan-4-yl]methyl]-, (2α,4β,5α)-(±)-
Systematic Name English
1h-1,2,4-triazole, 1-((rel-(4s,5r)-4-(2,4-dichlorophenyl)-2-oxido-5-phenyl-1,3,2-dioxathiolan-4-yl)methyl)-
Systematic Name English
1H-1,2,4-Triazole, 1-[[4-(2,4-dichlorophenyl)-2-oxido-5-phenyl-1,3,2-dioxathiolan-4-yl]methyl]-, (2α,4β,5α)-
Systematic Name English
Code System Code Type Description
PUBCHEM
112500471
Created by admin on Sat Dec 16 10:37:26 GMT 2023 , Edited by admin on Sat Dec 16 10:37:26 GMT 2023
PRIMARY
FDA UNII
Y9J37A8NX2
Created by admin on Sat Dec 16 10:37:26 GMT 2023 , Edited by admin on Sat Dec 16 10:37:26 GMT 2023
PRIMARY
CAS
107741-36-6
Created by admin on Sat Dec 16 10:37:26 GMT 2023 , Edited by admin on Sat Dec 16 10:37:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID70910506
Created by admin on Sat Dec 16 10:37:26 GMT 2023 , Edited by admin on Sat Dec 16 10:37:26 GMT 2023
PRIMARY