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5-(3-Chlorophenyl)-4-(2,6-difluorophenyl)-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID 56AF95dQ1lt
InChI InChI=1S/C19H17ClF2N4S/c20-14-6-3-5-13(11-14)18-23-25(12-24-9-1-2-10-24)19(27)26(18)17-15(21)7-4-8-16(17)22/h3-8,11H,1-2,9-10,12H2
InChIKey SUWAWZQBOMWIIU-UHFFFAOYSA-N
Mol Weight 406.88 g/mol
Molecular Formula C19H17ClF2N4S
Exact Mass 406.083052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4J9icvYNj2N
Name 5-(3-Chlorophenyl)-4-(2,6-difluorophenyl)-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 C19H17ClF2N4S
InChI InChI=1S/C19H17ClF2N4S/c20-14-6-3-5-13(11-14)18-23-25(12-24-9-1-2-10-24)19(27)26(18)17-15(21)7-4-8-16(17)22/h3-8,11H,1-2,9-10,12H2
InChIKey SUWAWZQBOMWIIU-UHFFFAOYSA-N
Molecular Weight 406.883 g/mol
SMILES C=1(N(C(N(N1)CN1CCCC1)=S)c1c(F)cccc1F)c1cc(Cl)ccc1
SPLASH splash10-001i-9000000000-fe5ea226791d4030979a
Source of Spectrum F2-46-247-33
Synonyms 5-(3-Chlorophenyl)-4-(2,6-difluorophenyl)-2-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-thione 5-(3-Chlorophenyl)-4-(2,6-difluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione 4-[2,6-bis(fluoranyl)phenyl]-5-(3-chlorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione
Wiley ID 1689806