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5-(3-Chlorophenyl)-4-(2,6-dimethylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

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5-(3-Chlorophenyl)-4-(2,6-dimethylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID CoJwiQwEs8r
InChI InChI=1S/C16H14ClN3S/c1-10-5-3-6-11(2)14(10)20-15(18-19-16(20)21)12-7-4-8-13(17)9-12/h3-9H,1-2H3,(H,19,21)
InChIKey DFETWBGEFITTDS-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 52GQvTTvSxA
Name 5-(3-Chlorophenyl)-4-(2,6-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/c1-10-5-3-6-11(2)14(10)20-15(18-19-16(20)21)12-7-4-8-13(17)9-12/h3-9H,1-2H3,(H,19,21)
InChIKey DFETWBGEFITTDS-UHFFFAOYSA-N
Molecular Weight 315.822 g/mol
SMILES C=1(N(C(NN1)=S)C=1C(=CC=CC1C)C)C=1C=C(Cl)C=CC1