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Details

Stereochemistry ACHIRAL
Molecular Formula C19H21N3O
Molecular Weight 307.3895
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(O-BUTYLPHENYL)-5-(M-METHOXYPHENYL)-S-TRIAZOLE

SMILES

CCCCC1=CC=CC=C1C2=NN=C(N2)C3=CC=CC(OC)=C3

InChI

InChIKey=XBYGUXKVAJQXEO-UHFFFAOYSA-N
InChI=1S/C19H21N3O/c1-3-4-8-14-9-5-6-12-17(14)19-20-18(21-22-19)15-10-7-11-16(13-15)23-2/h5-7,9-13H,3-4,8H2,1-2H3,(H,20,21,22)

HIDE SMILES / InChI

Molecular Formula C19H21N3O
Molecular Weight 307.3895
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 08:09:14 GMT 2023
Edited
by admin
on Sat Dec 16 08:09:14 GMT 2023
Record UNII
YSN1T53SIP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(O-BUTYLPHENYL)-5-(M-METHOXYPHENYL)-S-TRIAZOLE
Common Name English
1H-1,2,4-TRIAZOLE, 3-(2-BUTYLPHENYL)-5-(3-METHOXYPHENYL)-
Systematic Name English
S-TRIAZOLE, 3-(O-BUTYLPHENYL)-5-(M-METHOXYPHENYL)-
Systematic Name English
5-(2-BUTYLPHENYL)-3-(3-METHOXYPHENYL)-1H-1,2,4-TRIAZOLE
Systematic Name English
Code System Code Type Description
FDA UNII
YSN1T53SIP
Created by admin on Sat Dec 16 08:09:14 GMT 2023 , Edited by admin on Sat Dec 16 08:09:14 GMT 2023
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EPA CompTox
DTXSID90234514
Created by admin on Sat Dec 16 08:09:14 GMT 2023 , Edited by admin on Sat Dec 16 08:09:14 GMT 2023
PRIMARY
CAS
85303-89-5
Created by admin on Sat Dec 16 08:09:14 GMT 2023 , Edited by admin on Sat Dec 16 08:09:14 GMT 2023
PRIMARY
PUBCHEM
135362
Created by admin on Sat Dec 16 08:09:14 GMT 2023 , Edited by admin on Sat Dec 16 08:09:14 GMT 2023
PRIMARY