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5-(3-ethoxyphenyl)-4-{[(E)-(2-methoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID GxML9goar23
InChI InChI=1S/C18H18N4O2S/c1-3-24-15-9-6-8-13(11-15)17-20-21-18(25)22(17)19-12-14-7-4-5-10-16(14)23-2/h4-12H,3H2,1-2H3,(H,21,25)/b19-12+
InChIKey UFBKZNGGIKFNCR-XDHOZWIPSA-N
Mol Weight 354.43 g/mol
Molecular Formula C18H18N4O2S
Exact Mass 354.115047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aet01bNMigC
Name 5-(3-Ethoxyphenyl)-4-{[(E)-(2-methoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.115047008 u
Formula C18H18N4O2S
InChI InChI=1S/C18H18N4O2S/c1-3-24-15-9-6-8-13(11-15)17-20-21-18(25)22(17)19-12-14-7-4-5-10-16(14)23-2/h4-12H,3H2,1-2H3,(H,21,25)/b19-12+
InChIKey UFBKZNGGIKFNCR-XDHOZWIPSA-N
Molecular Weight 354.428 g/mol
SMILES SC=1N(C(=NN1)C1=CC(OCC)=CC=C1)\N=C\C=1C(OC)=CC=CC1