3-(1,1-Dimethylethyl)-α,1-bis(phenylmethyl)-1H-1,2,4-triazole-5-acetic acid

CAS Registry Number®

1353500-73-8
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CAS Name

3-(1,1-Dimethylethyl)-α,1-bis(phenylmethyl)-1H-1,2,4-triazole-5-acetic acid

Molecular Formula

C22H25N3O2

Molecular Mass

363.45

Cite this Page

3-(1,1-Dimethylethyl)-α,1-bis(phenylmethyl)-1H-1,2,4-triazole-5-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1353500-73-8 (retrieved 2024-09-18) (CAS RN: 1353500-73-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H25N3O2/c1-22(2,3)21-23-19(25(24-21)15-17-12-8-5-9-13-17)18(20(26)27)14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3,(H,26,27)

InChIKey

InChIKey=FVATVXHMWLVYKH-UHFFFAOYSA-N

SMILES

C(CC1=CC=CC=C1)(C(O)=O)C=2N(CC3=CC=CC=C3)N=C(C(C)(C)C)N2

Canonical SMILES

O=C(O)C(C1=NC(=NN1CC=2C=CC=CC2)C(C)(C)C)CC=3C=CC=CC3

Other Names for this Substance

  • 1H-1,2,4-Triazole-5-acetic acid, 3-(1,1-dimethylethyl)-α,1-bis(phenylmethyl)-
  • 3-(1,1-Dimethylethyl)-α,1-bis(phenylmethyl)-1H-1,2,4-triazole-5-acetic acid