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5-(2-chlorophenyl)-4-{[(E)-(4-ethoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID 4XKUcD2YJEC
InChI InChI=1S/C17H15ClN4OS/c1-2-23-13-9-7-12(8-10-13)11-19-22-16(20-21-17(22)24)14-5-3-4-6-15(14)18/h3-11H,2H2,1H3,(H,21,24)/b19-11+
InChIKey DXEVMFQTSJLAGK-YBFXNURJSA-N
Mol Weight 358.85 g/mol
Molecular Formula C17H15ClN4OS
Exact Mass 358.06551 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2eUKn38nN3w
Name 5-(2-Chlorophenyl)-4-{[(E)-(4-ethoxyphenyl)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 358.065509992 u
Formula C17H15ClN4OS
InChI InChI=1S/C17H15ClN4OS/c1-2-23-13-9-7-12(8-10-13)11-19-22-16(20-21-17(22)24)14-5-3-4-6-15(14)18/h3-11H,2H2,1H3,(H,21,24)/b19-11+
InChIKey DXEVMFQTSJLAGK-YBFXNURJSA-N
Molecular Weight 358.847 g/mol
SMILES SC=1N(C(=NN1)C1=C(Cl)C=CC=C1)\N=C\C=1C=CC(=CC1)OCC