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4-(4-Bromophenyl)-5-(3-chlorophenyl)-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID 2wMq69FbmE1
InChI InChI=1S/C19H18BrClN4S/c20-15-6-8-17(9-7-15)25-18(14-4-3-5-16(21)12-14)22-24(19(25)26)13-23-10-1-2-11-23/h3-9,12H,1-2,10-11,13H2
InChIKey CLEBRFPBJMMMLO-UHFFFAOYSA-N
Mol Weight 449.8 g/mol
Molecular Formula C19H18BrClN4S
Exact Mass 448.012408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9LG7HnRjzZt
Name 4-(4-Bromophenyl)-5-(3-chlorophenyl)-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18BrClN4S
InChI InChI=1S/C19H18BrClN4S/c20-15-6-8-17(9-7-15)25-18(14-4-3-5-16(21)12-14)22-24(19(25)26)13-23-10-1-2-11-23/h3-9,12H,1-2,10-11,13H2
InChIKey CLEBRFPBJMMMLO-UHFFFAOYSA-N
Molecular Weight 449.798 g/mol
SMILES C1(N(N=C(N1c1ccc(cc1)Br)c1cc(Cl)ccc1)CN1CCCC1)=S
SPLASH splash10-001i-9001000000-5854411bdd4df902d701
Source of Spectrum F2-46-246-26
Synonyms 4-(4-bromophenyl)-5-(3-chlorophenyl)-2-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-thione 4-(4-bromophenyl)-5-(3-chlorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione
Wiley ID 1689811