SpectraBase Spectrum ID |
CXIlWamLRpE |
Name |
Benzenamine, N-[4-[(4-chlorophenyl)sulfonyl]-2-butynyl]-4-methyl-N-[4-(phenylthio)-2-butynyl]- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
493.093699063 u |
Formula |
C27H24ClNO2S2 |
InChI |
InChI=1S/C27H24ClNO2S2/c1-23-11-15-25(16-12-23)29(19-5-7-21-32-26-9-3-2-4-10-26)20-6-8-22-33(30,31)27-17-13-24(28)14-18-27/h2-4,9-18H,19-22H2,1H3 |
InChIKey |
BJWYERQWIGIPOK-UHFFFAOYSA-N |
Molecular Weight |
494.067 g/mol |
SMILES |
C=1(S(=O)(=O)CC#CCN(C=2C=CC(=CC2)C)CC#CCSC2=CC=CC=C2)C=CC(=CC1)Cl |