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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8ClN3S
Molecular Weight 225.698
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-Chlorophenyl)-5-(methylthio)-1H-1,2,4-triazole

SMILES

CSC1=NC(=NN1)C2=CC=C(Cl)C=C2

InChI

InChIKey=YXVAYMRODBYXIQ-UHFFFAOYSA-N
InChI=1S/C9H8ClN3S/c1-14-9-11-8(12-13-9)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,11,12,13)

HIDE SMILES / InChI

Molecular Formula C9H8ClN3S
Molecular Weight 225.698
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 16:12:23 GMT 2023
Edited
by admin
on Sat Dec 16 16:12:23 GMT 2023
Record UNII
L7GWP3G5UB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-Chlorophenyl)-5-(methylthio)-1H-1,2,4-triazole
Systematic Name English
3-(4-Chlorophenyl)-5-methylsulfanyl-1H-1,2,4-triazole
Systematic Name English
1H-1,2,4-Triazole, 3-(4-chlorophenyl)-5-(methylthio)-
Systematic Name English
Code System Code Type Description
CAS
57295-49-5
Created by admin on Sat Dec 16 16:12:23 GMT 2023 , Edited by admin on Sat Dec 16 16:12:23 GMT 2023
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FDA UNII
L7GWP3G5UB
Created by admin on Sat Dec 16 16:12:23 GMT 2023 , Edited by admin on Sat Dec 16 16:12:23 GMT 2023
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PUBCHEM
449127
Created by admin on Sat Dec 16 16:12:23 GMT 2023 , Edited by admin on Sat Dec 16 16:12:23 GMT 2023
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EPA CompTox
DTXSID20332299
Created by admin on Sat Dec 16 16:12:23 GMT 2023 , Edited by admin on Sat Dec 16 16:12:23 GMT 2023
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