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4-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 2 NMR

4-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID FoYQPO6vjGD
InChI InChI=1S/C19H21N5OS/c1-2-3-6-13-25-16-10-8-15(9-11-16)14-21-24-18(22-23-19(24)26)17-7-4-5-12-20-17/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,23,26)/b21-14+
InChIKey SERCBIWFHZHHTK-KGENOOAVSA-N
Mol Weight 367.47 g/mol
Molecular Formula C19H21N5OS
Exact Mass 367.146681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HcLMhj2APce
Name 4-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.146681489 u
Formula C19H21N5OS
InChI InChI=1S/C19H21N5OS/c1-2-3-6-13-25-16-10-8-15(9-11-16)14-21-24-18(22-23-19(24)26)17-7-4-5-12-20-17/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,23,26)/b21-14+
InChIKey SERCBIWFHZHHTK-KGENOOAVSA-N
Molecular Weight 367.471 g/mol
SMILES SC=1N(C(=NN1)C=1N=CC=CC1)\N=C\C=1C=CC(=CC1)OCCCCC