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4-{[(E)-(4-isopropylphenyl)methylidene]amino}-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 2 NMR

4-{[(E)-(4-isopropylphenyl)methylidene]amino}-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 9SoM2FnmbQP
InChI InChI=1S/C19H20N4OS/c1-13(2)15-9-7-14(8-10-15)12-20-23-18(21-22-19(23)25)16-5-4-6-17(11-16)24-3/h4-13H,1-3H3,(H,22,25)/b20-12+
InChIKey YZRMITMJRLCFIA-UDWIEESQSA-N
Mol Weight 352.46 g/mol
Molecular Formula C19H20N4OS
Exact Mass 352.135782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3i7ekoN33F3
Name 4-{[(E)-(4-isopropylphenyl)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 352.135782453 u
Formula C19H20N4OS
InChI InChI=1S/C19H20N4OS/c1-13(2)15-9-7-14(8-10-15)12-20-23-18(21-22-19(23)25)16-5-4-6-17(11-16)24-3/h4-13H,1-3H3,(H,22,25)/b20-12+
InChIKey YZRMITMJRLCFIA-UDWIEESQSA-N
Molecular Weight 352.456 g/mol
SMILES SC=1N(C(=NN1)C1=CC(OC)=CC=C1)\N=C\C1=CC=C(C=C1)C(C)C