For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-[[4-(4-Methoxyphenyl)-5-(p-anisidino)-1,2,4-triazol-3-yl]amino]-6-methyl-3-(methylthio)-1,2,4-triazin-5-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-[[4-(4-Methoxyphenyl)-5-(p-anisidino)-1,2,4-triazol-3-yl]amino]-6-methyl-3-(methylthio)-1,2,4-triazin-5-one
SpectraBase Compound ID FIh82O9xzQD
InChI InChI=1S/C21H22N8O3S/c1-13-18(30)29(21(33-4)26-23-13)27-20-25-24-19(22-14-5-9-16(31-2)10-6-14)28(20)15-7-11-17(32-3)12-8-15/h5-12H,1-4H3,(H,22,24)(H,25,27)
InChIKey FEFWUUGACZOXGK-UHFFFAOYSA-N
Mol Weight 466.52 g/mol
Molecular Formula C21H22N8O3S
Exact Mass 466.153558 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IYpMrht6YOV
Name 4-[[4-(4-Methoxyphenyl)-5-(p-anisidino)-1,2,4-triazol-3-yl]amino]-6-methyl-3-(methylthio)-1,2,4-triazin-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.153557771 u
Formula C21H22N8O3S
InChI InChI=1S/C21H22N8O3S/c1-13-18(30)29(21(33-4)26-23-13)27-20-25-24-19(22-14-5-9-16(31-2)10-6-14)28(20)15-7-11-17(32-3)12-8-15/h5-12H,1-4H3,(H,22,24)(H,25,27)
InChIKey FEFWUUGACZOXGK-UHFFFAOYSA-N
Molecular Weight 466.520 g/mol
SMILES C1(N(C(=NN=C1C)SC)NC=1N(C(NC=2C=CC(=CC2)OC)=NN1)C1=CC=C(C=C1)OC)=O