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4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID DdLpNEpYmD5
InChI InChI=1S/C20H23N5OS/c1-4-24(5-2)17-11-9-15(10-12-17)14-21-25-19(22-23-20(25)27)16-7-6-8-18(13-16)26-3/h6-14H,4-5H2,1-3H3,(H,23,27)/b21-14+
InChIKey YHHBSEDKSPYBJT-KGENOOAVSA-N
Mol Weight 381.5 g/mol
Molecular Formula C20H23N5OS
Exact Mass 381.162332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dh08oUAgIOy
Name 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-(3-methoxyphenyl)-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 381.162331554 u
Formula C20H23N5OS
InChI InChI=1S/C20H23N5OS/c1-4-24(5-2)17-11-9-15(10-12-17)14-21-25-19(22-23-20(25)27)16-7-6-8-18(13-16)26-3/h6-14H,4-5H2,1-3H3,(H,23,27)/b21-14+
InChIKey YHHBSEDKSPYBJT-KGENOOAVSA-N
Molecular Weight 381.498 g/mol
SMILES SC=1N(C(=NN1)C1=CC(OC)=CC=C1)\N=C\C1=CC=C(C=C1)N(CC)CC