U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H9Cl2F3N4S
Molecular Weight 381.204
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-AMINO-3-CYANO-1-(2,6-DICHLORO-4-TRIFLUOROMETHYLPHENYL)-4-ETHYLTHIOPYRAZOLE

SMILES

CCSC1=C(N)N(N=C1C#N)C2=C(Cl)C=C(C=C2Cl)C(F)(F)F

InChI

InChIKey=BCUFJUKQRNLOQF-UHFFFAOYSA-N
InChI=1S/C13H9Cl2F3N4S/c1-2-23-11-9(5-19)21-22(12(11)20)10-7(14)3-6(4-8(10)15)13(16,17)18/h3-4H,2,20H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H9Cl2F3N4S
Molecular Weight 381.204
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 01:28:57 GMT 2023
Edited
by admin
on Sat Dec 16 01:28:57 GMT 2023
Record UNII
7M885P72EQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-AMINO-3-CYANO-1-(2,6-DICHLORO-4-TRIFLUOROMETHYLPHENYL)-4-ETHYLTHIOPYRAZOLE
Systematic Name English
1H-PYRAZOLE-3-CARBONITRILE, 5-AMINO-1-(2,6-DICHLORO-4-(TRIFLUOROMETHYL)PHENYL)-4-(ETHYLTHIO)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11111714
Created by admin on Sat Dec 16 01:28:57 GMT 2023 , Edited by admin on Sat Dec 16 01:28:57 GMT 2023
PRIMARY
FDA UNII
7M885P72EQ
Created by admin on Sat Dec 16 01:28:57 GMT 2023 , Edited by admin on Sat Dec 16 01:28:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID50904781
Created by admin on Sat Dec 16 01:28:57 GMT 2023 , Edited by admin on Sat Dec 16 01:28:57 GMT 2023
PRIMARY
CAS
120068-56-6
Created by admin on Sat Dec 16 01:28:57 GMT 2023 , Edited by admin on Sat Dec 16 01:28:57 GMT 2023
PRIMARY