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5-(3-chlorophenyl)-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID LFv2LkObpqe
InChI InChI=1S/C16H10ClF3N4S/c17-13-3-1-2-11(8-13)14-22-23-15(25)24(14)21-9-10-4-6-12(7-5-10)16(18,19)20/h1-9H,(H,23,25)/b21-9+
InChIKey HTQPDTXPODCBRA-ZVBGSRNCSA-N
Mol Weight 382.79 g/mol
Molecular Formula C16H10ClF3N4S
Exact Mass 382.02668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 17lGQtJNvDA
Name 5-(3-Chlorophenyl)-4-({(E)-[4-(trifluoromethyl)phenyl]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 382.026679701 u
Formula C16H10ClF3N4S
InChI InChI=1S/C16H10ClF3N4S/c17-13-3-1-2-11(8-13)14-22-23-15(25)24(14)21-9-10-4-6-12(7-5-10)16(18,19)20/h1-9H,(H,23,25)/b21-9+
InChIKey HTQPDTXPODCBRA-ZVBGSRNCSA-N
Molecular Weight 382.792 g/mol
SMILES SC=1N(C(=NN1)C1=CC(Cl)=CC=C1)\N=C\C=1C=CC(C(F)(F)F)=CC1