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Details

Stereochemistry ACHIRAL
Molecular Formula C16H15N3
Molecular Weight 249.3104
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-PHENYL-3-(2,4-XYLYL)-S-TRIAZOLE

SMILES

CC1=CC(C)=C(C=C1)C2=NN=C(N2)C3=CC=CC=C3

InChI

InChIKey=LXVXIEDVPDPIGJ-UHFFFAOYSA-N
InChI=1S/C16H15N3/c1-11-8-9-14(12(2)10-11)16-17-15(18-19-16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,17,18,19)

HIDE SMILES / InChI

Molecular Formula C16H15N3
Molecular Weight 249.3104
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 Tue Apr 01 19:49:44 GMT 2025
Edited
by admin
on Tue Apr 01 19:49:44 GMT 2025
Record UNII
80EIO64E1H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-1,2,4-TRIAZOLE, 3-(2,4-DIMETHYLPHENYL)-5-PHENYL-
Preferred Name English
5-PHENYL-3-(2,4-XYLYL)-S-TRIAZOLE
Systematic Name English
5-(2,4-DIMETHYLPHENYL)-3-PHENYL-1H-1,2,4-TRIAZOLE
Systematic Name English
S-TRIAZOLE, 5-PHENYL-3-(2,4-XYLYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID101005793
Created by admin on Tue Apr 01 19:49:44 GMT 2025 , Edited by admin on Tue Apr 01 19:49:44 GMT 2025
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PUBCHEM
135358
Created by admin on Tue Apr 01 19:49:44 GMT 2025 , Edited by admin on Tue Apr 01 19:49:44 GMT 2025
PRIMARY
FDA UNII
80EIO64E1H
Created by admin on Tue Apr 01 19:49:44 GMT 2025 , Edited by admin on Tue Apr 01 19:49:44 GMT 2025
PRIMARY
CAS
85303-90-8
Created by admin on Tue Apr 01 19:49:44 GMT 2025 , Edited by admin on Tue Apr 01 19:49:44 GMT 2025
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