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Details

Stereochemistry ACHIRAL
Molecular Formula C17H11N5
Molecular Weight 285.3027
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4'-(1H-1,3,4-TRIAZOL-1-YLMETHYLENE)DIBENZONITRILE

SMILES

N#CC1=CC=C(C=C1)C(N2C=NN=C2)C3=CC=C(C=C3)C#N

InChI

InChIKey=BCTXUGAAOFIJGX-UHFFFAOYSA-N
InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-11-20-21-12-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H

HIDE SMILES / InChI

Molecular Formula C17H11N5
Molecular Weight 285.3027
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 09:59:00 UTC 2023
Edited
by admin
on Sat Dec 16 09:59:00 UTC 2023
Record UNII
7VSW8QP34K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,4'-(1H-1,3,4-TRIAZOL-1-YLMETHYLENE)DIBENZONITRILE
Systematic Name English
LETROZOLE RELATED COMPOUND B [USP IMPURITY]
Common Name English
LETROZOLE IMPURITY A [EP IMPURITY]
Common Name English
LETROZOLE RELATED COMPOUND A [USP-RS]
Common Name English
BENZONITRILE, 4,4'-(4H-1,2,4-TRIAZOL-4-YLMETHYLENE)BIS-
Systematic Name English
LETROZOLE RELATED COMPOUND B
USP  
Common Name English
Code System Code Type Description
CAS
112809-52-6
Created by admin on Sat Dec 16 09:59:01 UTC 2023 , Edited by admin on Sat Dec 16 09:59:01 UTC 2023
PRIMARY
EPA CompTox
DTXSID10150186
Created by admin on Sat Dec 16 09:59:01 UTC 2023 , Edited by admin on Sat Dec 16 09:59:01 UTC 2023
PRIMARY
PUBCHEM
14231173
Created by admin on Sat Dec 16 09:59:01 UTC 2023 , Edited by admin on Sat Dec 16 09:59:01 UTC 2023
PRIMARY
FDA UNII
7VSW8QP34K
Created by admin on Sat Dec 16 09:59:01 UTC 2023 , Edited by admin on Sat Dec 16 09:59:01 UTC 2023
PRIMARY
RS_ITEM_NUM
1356982
Created by admin on Sat Dec 16 09:59:01 UTC 2023 , Edited by admin on Sat Dec 16 09:59:01 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP