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Details

Stereochemistry RACEMIC
Molecular Formula C18H16F2N2O2S
Molecular Weight 362.394
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FR-140423

SMILES

COC1=CC=C(C=C1)N2N=C(C=C2C3=CC=C(C=C3)[S+](C)[O-])C(F)F

InChI

InChIKey=JJAPPCJXQFKMJL-UHFFFAOYSA-N
InChI=1S/C18H16F2N2O2S/c1-24-14-7-5-13(6-8-14)22-17(11-16(21-22)18(19)20)12-3-9-15(10-4-12)25(2)23/h3-11,18H,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H16F2N2O2S
Molecular Weight 362.394
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 02:09:21 UTC 2023
Edited
by admin
on Sat Dec 16 02:09:21 UTC 2023
Record UNII
C7M22YQZ95
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FR-140423
Code English
1H-PYRAZOLE, 3-(DIFLUOROMETHYL)-1-(4-METHOXYPHENYL)-5-(4-(METHYLSULFINYL)PHENYL)-
Systematic Name English
FR-140423, (±)-
Code English
3-(DIFLUOROMETHYL)-1-(4-METHOXYPHENYL)-5-(4-(METHYLSULFINYL)PHENYL)PYRAZOLE
Systematic Name English
Code System Code Type Description
CAS
151506-44-4
Created by admin on Sat Dec 16 02:09:21 UTC 2023 , Edited by admin on Sat Dec 16 02:09:21 UTC 2023
PRIMARY
EPA CompTox
DTXSID6048175
Created by admin on Sat Dec 16 02:09:21 UTC 2023 , Edited by admin on Sat Dec 16 02:09:21 UTC 2023
PRIMARY
FDA UNII
C7M22YQZ95
Created by admin on Sat Dec 16 02:09:21 UTC 2023 , Edited by admin on Sat Dec 16 02:09:21 UTC 2023
PRIMARY
PUBCHEM
132932
Created by admin on Sat Dec 16 02:09:21 UTC 2023 , Edited by admin on Sat Dec 16 02:09:21 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE