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Methyl N-[[methylphenylamino]methylthio]methylene-2-[1-[2-pyridyl]
SpectraBase Compound ID 5gamVO36pYA
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
Mol Weight 386.54 g/mol
Molecular Formula C18H22N6S2
Exact Mass 386.134737 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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