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Details

Stereochemistry ACHIRAL
Molecular Formula C20H19F3N4O3
Molecular Weight 420.3851
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2,4-DIHYDRO-5-METHOXY-2-METHYL-4-(2-((((E)-(1-(3-(TRIFLUOROMETHYL)PHENYL)ETHYLIDENE)AMINO)OXY)METHYL)PHENYL)-3H-1,2,4-TRIAZOL-3-ONE

SMILES

COC1=NN(C)C(=O)N1C2=CC=CC=C2CO\N=C(/C)C3=CC=CC(=C3)C(F)(F)F

InChI

InChIKey=ITBSXCCVPWUAHO-DHRITJCHSA-N
InChI=1S/C20H19F3N4O3/c1-13(14-8-6-9-16(11-14)20(21,22)23)25-30-12-15-7-4-5-10-17(15)27-18(29-3)24-26(2)19(27)28/h4-11H,12H2,1-3H3/b25-13+

HIDE SMILES / InChI

Molecular Formula C20H19F3N4O3
Molecular Weight 420.3851
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:30:07 GMT 2023
Edited
by admin
on Sat Dec 16 09:30:07 GMT 2023
Record UNII
Z191U2VX42
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-DIHYDRO-5-METHOXY-2-METHYL-4-(2-((((E)-(1-(3-(TRIFLUOROMETHYL)PHENYL)ETHYLIDENE)AMINO)OXY)METHYL)PHENYL)-3H-1,2,4-TRIAZOL-3-ONE
Systematic Name English
3H-1,2,4-TRIAZOL-3-ONE, 2,4-DIHYDRO-5-METHOXY-2-METHYL-4-(2-((((E)-(1-(3-(TRIFLUOROMETHYL)PHENYL)ETHYLIDENE)AMINO)OXY)METHYL)PHENYL)-
Systematic Name English
(E)-2,4-DIHYDRO-5-METHOXY-2-METHYL-4-(2-((((1-(3-(TRIFLUOROMETHYL)PHENYL)ETHYLIDENE)AMINO)OXY)METHYL)-PHENYL)-3H-1,2,4-TRIAZOL-3-ONE
Common Name English
Code System Code Type Description
PUBCHEM
9845030
Created by admin on Sat Dec 16 09:30:07 GMT 2023 , Edited by admin on Sat Dec 16 09:30:07 GMT 2023
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FDA UNII
Z191U2VX42
Created by admin on Sat Dec 16 09:30:07 GMT 2023 , Edited by admin on Sat Dec 16 09:30:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID50912306
Created by admin on Sat Dec 16 09:30:07 GMT 2023 , Edited by admin on Sat Dec 16 09:30:07 GMT 2023
PRIMARY
CAS
210230-99-2
Created by admin on Sat Dec 16 09:30:07 GMT 2023 , Edited by admin on Sat Dec 16 09:30:07 GMT 2023
PRIMARY