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4-(2-Bromophenyl)-5-(3-chlorophenyl)-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID 4irYvXQMlyt
InChI InChI=1S/C19H18BrClN4S/c20-16-8-1-2-9-17(16)25-18(14-6-5-7-15(21)12-14)22-24(19(25)26)13-23-10-3-4-11-23/h1-2,5-9,12H,3-4,10-11,13H2
InChIKey NSUJFIIQVWGSDT-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 G8an2mDQUOz
Name 4-(2-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/c20-16-8-1-2-9-17(16)25-18(14-6-5-7-15(21)12-14)22-24(19(25)26)13-23-10-3-4-11-23/h1-2,5-9,12H,3-4,10-11,13H2
InChIKey NSUJFIIQVWGSDT-UHFFFAOYSA-N
Molecular Weight 449.798 g/mol
SMILES C=1(N(C(N(N1)CN1CCCC1)=S)c1c(Br)cccc1)c1cc(Cl)ccc1
SPLASH splash10-001i-9000000000-3970724d1db08434661a
Source of Spectrum F2-46-246-27
Synonyms 4-(2-bromophenyl)-5-(3-chlorophenyl)-2-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-thione 4-(2-bromophenyl)-5-(3-chlorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione
Wiley ID 1689810