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4-(4-Chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, S-methyl-

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4-(4-Chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, S-methyl-
SpectraBase Compound ID 1ru76dwrSwH
InChI InChI=1S/C16H14ClN3OS/c1-21-14-6-4-3-5-13(14)15-18-19-16(22-2)20(15)12-9-7-11(17)8-10-12/h3-10H,1-2H3
InChIKey UMYDDRIQPOZMLZ-UHFFFAOYSA-N
Mol Weight 331.82 g/mol
Molecular Formula C16H14ClN3OS
Exact Mass 331.054611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bs0g78XmHP1
Name 4-(4-Chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, S-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.054610956 u
Formula C16H14ClN3OS
InChI InChI=1S/C16H14ClN3OS/c1-21-14-6-4-3-5-13(14)15-18-19-16(22-2)20(15)12-9-7-11(17)8-10-12/h3-10H,1-2H3
InChIKey UMYDDRIQPOZMLZ-UHFFFAOYSA-N
Molecular Weight 331.821 g/mol
SMILES C=1(SC)N(C(=NN1)C1=C(C=CC=C1)OC)C1=CC=C(C=C1)Cl