SpectraBase Spectrum ID |
1iB1pfMNWak |
Name |
N-[4-(Aminosulfonyl)phenyl]-2-{[5-(2-chlorophenyl)-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 |
451.053959505 u |
Formula |
C18H18ClN5O3S2 |
InChI |
InChI=1S/C18H18ClN5O3S2/c1-2-24-17(14-5-3-4-6-15(14)19)22-23-18(24)28-11-16(25)21-12-7-9-13(10-8-12)29(20,26)27/h3-10H,2,11H2,1H3,(H,21,25)(H2,20,26,27) |
InChIKey |
YXGJCNHQWKDIBX-UHFFFAOYSA-N |
Molecular Weight |
451.947 g/mol |
SMILES |
N(C(CSC=1N(C(=NN1)C=1C(Cl)=CC=CC1)CC)=O)C1=CC=C(S(=O)(=O)N)C=C1 |