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5-(3-chlorophenyl)-4-{[(E)-(2,4-dimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID 6o43eqExChG
InChI InChI=1S/C17H15ClN4O2S/c1-23-14-7-6-12(15(9-14)24-2)10-19-22-16(20-21-17(22)25)11-4-3-5-13(18)8-11/h3-10H,1-2H3,(H,21,25)/b19-10+
InChIKey ZXJWZKSNJHGRQZ-VXLYETTFSA-N
Mol Weight 374.85 g/mol
Molecular Formula C17H15ClN4O2S
Exact Mass 374.060425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22ITY5zyisH
Name 5-(3-Chlorophenyl)-4-{[(E)-(2,4-dimethoxyphenyl)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 374.060424611 u
Formula C17H15ClN4O2S
InChI InChI=1S/C17H15ClN4O2S/c1-23-14-7-6-12(15(9-14)24-2)10-19-22-16(20-21-17(22)25)11-4-3-5-13(18)8-11/h3-10H,1-2H3,(H,21,25)/b19-10+
InChIKey ZXJWZKSNJHGRQZ-VXLYETTFSA-N
Molecular Weight 374.846 g/mol
SMILES SC=1N(C(=NN1)C1=CC(Cl)=CC=C1)\N=C\C=1C(=CC(=CC1)OC)OC