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5-(3-ethoxyphenyl)-4-{[(E)-(4-isopropylphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID D7XGSFyAaWv
InChI InChI=1S/C20H22N4OS/c1-4-25-18-7-5-6-17(12-18)19-22-23-20(26)24(19)21-13-15-8-10-16(11-9-15)14(2)3/h5-14H,4H2,1-3H3,(H,23,26)/b21-13+
InChIKey LEBZCMBCJLQYSQ-FYJGNVAPSA-N
Mol Weight 366.48 g/mol
Molecular Formula C20H22N4OS
Exact Mass 366.151433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2inzkAzkZ4
Name 5-(3-Ethoxyphenyl)-4-{[(E)-(4-isopropylphenyl)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 366.151432517 u
Formula C20H22N4OS
InChI InChI=1S/C20H22N4OS/c1-4-25-18-7-5-6-17(12-18)19-22-23-20(26)24(19)21-13-15-8-10-16(11-9-15)14(2)3/h5-14H,4H2,1-3H3,(H,23,26)/b21-13+
InChIKey LEBZCMBCJLQYSQ-FYJGNVAPSA-N
Molecular Weight 366.483 g/mol
SMILES SC=1N(C(=NN1)C1=CC(OCC)=CC=C1)\N=C\C1=CC=C(C=C1)C(C)C