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5-(4-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

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5-(4-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID FUWIOeFu4zY
InChI InChI=1S/C18H18ClN3O2S/c1-23-15-8-3-12(11-16(15)24-2)9-10-22-17(20-21-18(22)25)13-4-6-14(19)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,21,25)
InChIKey HKEJDUFKIPARFO-UHFFFAOYSA-N
Mol Weight 375.87 g/mol
Molecular Formula C18H18ClN3O2S
Exact Mass 375.080826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A8JKQPXE9uY
Name 5-(4-Chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.080825704 u
Formula C18H18ClN3O2S
InChI InChI=1S/C18H18ClN3O2S/c1-23-15-8-3-12(11-16(15)24-2)9-10-22-17(20-21-18(22)25)13-4-6-14(19)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,21,25)
InChIKey HKEJDUFKIPARFO-UHFFFAOYSA-N
Molecular Weight 375.874 g/mol
SMILES N1N=C(N(C1=S)CCC1=CC(OC)=C(C=C1)OC)C=1C=CC(=CC1)Cl