4H-1,2,4-Triazolium, 4-amino-1-[[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl]-, bromide (1:1)
CAS Registry Number®
906813-01-2
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CAS Name
4H-1,2,4-Triazolium, 4-amino-1-[[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl]-, bromide (1:1)Molecular Formula
C17H21N6.BrCite this Page
4H-1,2,4-Triazolium, 4-amino-1-[[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl]-, bromide (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=906813-01-2 (retrieved ) (CAS RN: 906813-01-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C17H21N6.BrH/c1-16(2,9-18)14-5-13(8-23-12-22(20)11-21-23)6-15(7-14)17(3,4)10-19;/h5-7,11-12H,8,20H2,1-4H3;1H/q+1;/p-1
InChIKey
InChIKey=YNJKOZPKRGRYBN-UHFFFAOYSA-M
SMILES
C(C1=CC(C(C#N)(C)C)=CC(C(C#N)(C)C)=C1)N2N=C[N+](N)=C2.[Br-]
Canonical SMILES
[Br-].N#CC(C1=CC(=CC(=C1)C(C#N)(C)C)CN2N=C[N+](N)=C2)(C)C
Other Names for this Substance
- 4H-1,2,4-Triazolium, 4-amino-1-[[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl]-, bromide (1:1)
- 1H-1,2,4-Triazolium, 4-amino-1-[[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl]-, bromide