SpectraBase Spectrum ID |
Ap9XwktGSs2 |
Name |
N-[4-(Aminosulfonyl)phenyl]-2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
473.155532094 u |
Formula |
C22H27N5O3S2 |
InChI |
InChI=1S/C22H27N5O3S2/c1-5-27-20(15-6-8-16(9-7-15)22(2,3)4)25-26-21(27)31-14-19(28)24-17-10-12-18(13-11-17)32(23,29)30/h6-13H,5,14H2,1-4H3,(H,24,28)(H2,23,29,30) |
InChIKey |
ZIPYQBOHYGJRQY-UHFFFAOYSA-N |
Molecular Weight |
473.610 g/mol |
SMILES |
N(C(CSC=1N(C(=NN1)C=1C=CC(C(C)(C)C)=CC1)CC)=O)C1=CC=C(S(=O)(=O)N)C=C1 |