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Details

Stereochemistry ACHIRAL
Molecular Formula C17H17N3O2
Molecular Weight 295.3358
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(3,4-DIMETHOXYPHENYL)-5-(2-METHYLPHENYL)-1H-1,2,4-TRIAZOLE

SMILES

COC1=C(OC)C=C(C=C1)C2=NN=C(N2)C3=CC=CC=C3C

InChI

InChIKey=YFKLMVOMGHMZHE-UHFFFAOYSA-N
InChI=1S/C17H17N3O2/c1-11-6-4-5-7-13(11)17-18-16(19-20-17)12-8-9-14(21-2)15(10-12)22-3/h4-10H,1-3H3,(H,18,19,20)

HIDE SMILES / InChI

Molecular Formula C17H17N3O2
Molecular Weight 295.3358
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 Sat Dec 16 08:40:57 GMT 2023
Edited
by admin
on Sat Dec 16 08:40:57 GMT 2023
Record UNII
42FDT2ULY6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(3,4-DIMETHOXYPHENYL)-5-(2-METHYLPHENYL)-1H-1,2,4-TRIAZOLE
Systematic Name English
1H-1,2,4-TRIAZOLE, 3-(3,4-DIMETHOXYPHENYL)-5-(2-METHYLPHENYL)-
Systematic Name English
Code System Code Type Description
CAS
107595-37-9
Created by admin on Sat Dec 16 08:40:57 GMT 2023 , Edited by admin on Sat Dec 16 08:40:57 GMT 2023
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FDA UNII
42FDT2ULY6
Created by admin on Sat Dec 16 08:40:57 GMT 2023 , Edited by admin on Sat Dec 16 08:40:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID60148093
Created by admin on Sat Dec 16 08:40:57 GMT 2023 , Edited by admin on Sat Dec 16 08:40:57 GMT 2023
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PUBCHEM
918377
Created by admin on Sat Dec 16 08:40:57 GMT 2023 , Edited by admin on Sat Dec 16 08:40:57 GMT 2023
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