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N-{[5-(ethylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-4-methoxyaniline

View entire compound with spectra: 2 NMR

N-{[5-(ethylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-4-methoxyaniline
SpectraBase Compound ID 8LZWD4LR0eO
InChI InChI=1S/C18H20N4OS/c1-3-24-18-21-20-17(22(18)15-7-5-4-6-8-15)13-19-14-9-11-16(23-2)12-10-14/h4-12,19H,3,13H2,1-2H3
InChIKey YBQFNGFUNATMKB-UHFFFAOYSA-N
Mol Weight 340.45 g/mol
Molecular Formula C18H20N4OS
Exact Mass 340.135782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EIhAWa4COWI
Name N-{[5-(Ethylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-4-methoxyaniline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.135782453 u
Formula C18H20N4OS
InChI InChI=1S/C18H20N4OS/c1-3-24-18-21-20-17(22(18)15-7-5-4-6-8-15)13-19-14-9-11-16(23-2)12-10-14/h4-12,19H,3,13H2,1-2H3
InChIKey YBQFNGFUNATMKB-UHFFFAOYSA-N
Molecular Weight 340.445 g/mol
SMILES N(CC=1N(C(=NN1)SCC)C=1C=CC=CC1)C1=CC=C(OC)C=C1