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5-(2-Chlorophenyl)-2-[(3-methyl-1-piperidinyl)methyl]-4-phenyl-1,2,4-triazole-3-thione
SpectraBase Compound ID 7z1ZwNuxlp0
InChI InChI=1S/C21H23ClN4S/c1-16-8-7-13-24(14-16)15-25-21(27)26(17-9-3-2-4-10-17)20(23-25)18-11-5-6-12-19(18)22/h2-6,9-12,16H,7-8,13-15H2,1H3
InChIKey XCFGVNIVRHIDTM-UHFFFAOYSA-N
Mol Weight 398.96 g/mol
Molecular Formula C21H23ClN4S
Exact Mass 398.133196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IjE8JmOUrbF
Name 5-(2-Chlorophenyl)-2-[(3-methyl-1-piperidinyl)methyl]-4-phenyl-1,2,4-triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23ClN4S
InChI InChI=1S/C21H23ClN4S/c1-16-8-7-13-24(14-16)15-25-21(27)26(17-9-3-2-4-10-17)20(23-25)18-11-5-6-12-19(18)22/h2-6,9-12,16H,7-8,13-15H2,1H3
InChIKey XCFGVNIVRHIDTM-UHFFFAOYSA-N
Molecular Weight 398.956 g/mol
SMILES c1ccc(N2C(N(N=C2c2c(Cl)cccc2)CN2CC(C)CCC2)=S)cc1
SPLASH splash10-03di-9810000000-b8c75483822d0190131b
Synonyms 5-(2-Chlorophenyl)-2-[(3-methyl-1-piperidyl)methyl]-4-phenyl-1,2,4-triazole-3-thione 5-(2-Chlorophenyl)-2-[(3-methylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione 5-(2-Chlorophenyl)-2-[(3-methylpiperidino)methyl]-4-phenyl-1,2,4-triazole-3-thione
Wiley ID 1453473