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Details

Stereochemistry ACHIRAL
Molecular Formula C17H17N3O
Molecular Weight 279.3364
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=KDHPVMSRQLEZQR-UHFFFAOYSA-N
InChI=1S/C17H17N3O/c1-11-7-8-15(12(2)9-11)17-18-16(19-20-17)13-5-4-6-14(10-13)21-3/h4-10H,1-3H3,(H,18,19,20)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
5-(M-METHOXYPHENYL)-3-(2,4-XYLYL)-S-TRIAZOLE
Systematic Name English
1H-1,2,4-TRIAZOLE, 3-(2,4-DIMETHYLPHENYL)-5-(3-METHOXYPHENYL)-
Systematic Name English
5-(2,4-DIMETHYLPHENYL)-3-(3-METHOXYPHENYL)-1H-1,2,4-TRIAZOLE
Systematic Name English
S-TRIAZOLE, 5-(M-METHOXYPHENYL)-3-(2,4-XYLYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
135360
Created by admin on Sat Dec 16 08:19:06 GMT 2023 , Edited by admin on Sat Dec 16 08:19:06 GMT 2023
PRIMARY
FDA UNII
7X46458JHV
Created by admin on Sat Dec 16 08:19:06 GMT 2023 , Edited by admin on Sat Dec 16 08:19:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID50234515
Created by admin on Sat Dec 16 08:19:06 GMT 2023 , Edited by admin on Sat Dec 16 08:19:06 GMT 2023
PRIMARY
CAS
85303-91-9
Created by admin on Sat Dec 16 08:19:06 GMT 2023 , Edited by admin on Sat Dec 16 08:19:06 GMT 2023
PRIMARY
NIH
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