SpectraBase Spectrum ID |
DU7b9s399wA |
Name |
Methyl N-[[methylphenylamino]methylthio]methylene-2-[1-[2-pyridyl] |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
386.134737080 u |
Formula |
C18H22N6S2 |
InChI |
InChI=1S/C18H22N6S2/c1-14(16-12-8-9-13-19-16)20-21-17(25-3)22-23-18(26-4)24(2)15-10-6-5-7-11-15/h5-13H,1-4H3,(H,21,22)/b20-14+,23-18- |
InChIKey |
WYWRMTLJYXLAQQ-KBBIEFRUSA-N |
Molecular Weight |
386.536 g/mol |
SMILES |
C1(=CC=CC=N1)\C(=N\N=C/(SC)N\N=C\(N(C1=CC=CC=C1)C)SC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956812 |