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5-(2-chlorophenyl)-4-{[(E)-(2,4-dichlorophenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide

View entire compound with spectra: 2 NMR

5-(2-chlorophenyl)-4-{[(E)-(2,4-dichlorophenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID 1OeCyd4ZMub
InChI InChI=1S/C15H9Cl3N4S/c16-10-6-5-9(13(18)7-10)8-19-22-14(20-21-15(22)23)11-3-1-2-4-12(11)17/h1-8H,(H,21,23)/b19-8+
InChIKey IAHBOPSLHALGII-UFWORHAWSA-N
Mol Weight 383.68 g/mol
Molecular Formula C15H9Cl3N4S
Exact Mass 381.961351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4A7N9I5HA0
Name 5-(2-Chlorophenyl)-4-{[(E)-(2,4-dichlorophenyl)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 381.961350580 u
Formula C15H9Cl3N4S
InChI InChI=1S/C15H9Cl3N4S/c16-10-6-5-9(13(18)7-10)8-19-22-14(20-21-15(22)23)11-3-1-2-4-12(11)17/h1-8H,(H,21,23)/b19-8+
InChIKey IAHBOPSLHALGII-UFWORHAWSA-N
Molecular Weight 383.684 g/mol
SMILES SC=1N(C(=NN1)C1=C(Cl)C=CC=C1)\N=C\C=1C(=CC(=CC1)Cl)Cl