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4-(1-naphthalenyl)-3-(1-naphthalenylmethyl)-1H-1,2,4-triazole-5-thione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(1-naphthalenyl)-3-(1-naphthalenylmethyl)-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID I4oGW3AdUpS
InChI InChI=1S/C23H17N3S/c27-23-25-24-22(15-18-11-5-9-16-7-1-3-12-19(16)18)26(23)21-14-6-10-17-8-2-4-13-20(17)21/h1-14H,15H2,(H,25,27)
InChIKey QIZLVJOWFDRORS-UHFFFAOYSA-N
Mol Weight 367.47 g/mol
Molecular Formula C23H17N3S
Exact Mass 367.114319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1VKnIFelcBv
Name 4-(1-Naphthalenyl)-3-(1-naphthalenylmethyl)-1H-1,2,4-triazole-5-thione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.114318733 u
Formula C23H17N3S
InChI InChI=1S/C23H17N3S/c27-23-25-24-22(15-18-11-5-9-16-7-1-3-12-19(16)18)26(23)21-14-6-10-17-8-2-4-13-20(17)21/h1-14H,15H2,(H,25,27)
InChIKey QIZLVJOWFDRORS-UHFFFAOYSA-N
Molecular Weight 367.470 g/mol
SMILES C=1(N(C(NN1)=S)C1=C2C(C=CC=C2)=CC=C1)CC1=C2C(C=CC=C2)=CC=C1