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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H16F2N2O2S
Molecular Weight 362.394
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FR-140423, (S)-

SMILES

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

InChI

InChIKey=JJAPPCJXQFKMJL-VWLOTQADSA-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/t25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H16F2N2O2S
Molecular Weight 362.394
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:20:23 UTC 2023
Edited
by admin
on Sat Dec 16 12:20:23 UTC 2023
Record UNII
4Y475346XS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FR-140423, (S)-
Code English
1H-PYRAZOLE, 3-(DIFLUOROMETHYL)-1-(4-METHOXYPHENYL)-5-(4-(METHYLSULFINYL)PHENYL)-, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
4Y475346XS
Created by admin on Sat Dec 16 12:20:24 UTC 2023 , Edited by admin on Sat Dec 16 12:20:24 UTC 2023
PRIMARY
PUBCHEM
10713663
Created by admin on Sat Dec 16 12:20:24 UTC 2023 , Edited by admin on Sat Dec 16 12:20:24 UTC 2023
PRIMARY PUBCHEM
CAS
151507-22-1
Created by admin on Sat Dec 16 12:20:24 UTC 2023 , Edited by admin on Sat Dec 16 12:20:24 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER
RACEMATE -> ENANTIOMER