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5-(4-Chlorophenyl)-4-(2,4-dimethylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

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5-(4-Chlorophenyl)-4-(2,4-dimethylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID 4pD7hYDCUjI
InChI InChI=1S/C16H14ClN3S/c1-10-3-8-14(11(2)9-10)20-15(18-19-16(20)21)12-4-6-13(17)7-5-12/h3-9H,1-2H3,(H,19,21)
InChIKey GVWFFULEODWIHN-UHFFFAOYSA-N
Mol Weight 315.82 g/mol
Molecular Formula C16H14ClN3S
Exact Mass 315.059696 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 18K3rI0u5eS
Name 5-(4-Chlorophenyl)-4-(2,4-dimethylphenyl)-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 315.059696337 u
Formula C16H14ClN3S
InChI InChI=1S/C16H14ClN3S/c1-10-3-8-14(11(2)9-10)20-15(18-19-16(20)21)12-4-6-13(17)7-5-12/h3-9H,1-2H3,(H,19,21)
InChIKey GVWFFULEODWIHN-UHFFFAOYSA-N
Molecular Weight 315.822 g/mol
SMILES C=1(N(C(NN1)=S)C=1C(=CC(=CC1)C)C)C=1C=CC(=CC1)Cl