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4-(4-Iodophenyl)-5-(3-chlorophenyl)-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID 8J59bUftpMs
InChI InChI=1S/C19H18ClIN4S/c20-15-5-3-4-14(12-15)18-22-24(13-23-10-1-2-11-23)19(26)25(18)17-8-6-16(21)7-9-17/h3-9,12H,1-2,10-11,13H2
InChIKey IXFFEGJFYJTVKD-UHFFFAOYSA-N
Mol Weight 496.8 g/mol
Molecular Formula C19H18ClIN4S
Exact Mass 495.99854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITFn8csllQL
Name 4-(4-Iodophenyl)-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 C19H18ClIN4S
InChI InChI=1S/C19H18ClIN4S/c20-15-5-3-4-14(12-15)18-22-24(13-23-10-1-2-11-23)19(26)25(18)17-8-6-16(21)7-9-17/h3-9,12H,1-2,10-11,13H2
InChIKey IXFFEGJFYJTVKD-UHFFFAOYSA-N
Molecular Weight 496.798 g/mol
SMILES C1(N(N=C(N1c1ccc(cc1)I)c1cc(Cl)ccc1)CN1CCCC1)=S
SPLASH splash10-001i-9000000000-6aeb7b3eaa84f0925159
Source of Spectrum F2-46-246-28
Synonyms 5-(3-Chlorophenyl)-4-(4-iodophenyl)-2-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-thione 5-(3-Chlorophenyl)-4-(4-iodophenyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione
Wiley ID 1713497