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5-(3-ethoxyphenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID 2fbExgq2qS7
InChI InChI=1S/C20H22N4O2S/c1-3-12-26-17-10-8-15(9-11-17)14-21-24-19(22-23-20(24)27)16-6-5-7-18(13-16)25-4-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,27)/b21-14+
InChIKey BCKAFMORSAZSIL-KGENOOAVSA-N
Mol Weight 382.48 g/mol
Molecular Formula C20H22N4O2S
Exact Mass 382.146347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDqujxlxVKd
Name 5-(3-Ethoxyphenyl)-4-{[(E)-(4-propoxyphenyl)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 382.146347136 u
Formula C20H22N4O2S
InChI InChI=1S/C20H22N4O2S/c1-3-12-26-17-10-8-15(9-11-17)14-21-24-19(22-23-20(24)27)16-6-5-7-18(13-16)25-4-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,27)/b21-14+
InChIKey BCKAFMORSAZSIL-KGENOOAVSA-N
Molecular Weight 382.482 g/mol
SMILES SC=1N(C(=NN1)C=1C=C(OCC)C=CC1)\N=C\C1=CC=C(C=C1)OCCC