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2-Chlorobenzyl 5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl sulfide
SpectraBase Compound ID Abwc7YIThIj
InChI InChI=1S/C21H15ClFN3S/c22-19-12-5-4-7-16(19)14-27-21-25-24-20(15-8-6-9-17(23)13-15)26(21)18-10-2-1-3-11-18/h1-13H,14H2
InChIKey CIHRPCVURJWQGF-UHFFFAOYSA-N
Mol Weight 395.88 g/mol
Molecular Formula C21H15ClFN3S
Exact Mass 395.065925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8diu4L34DZr
Name 2-Chlorobenzyl 5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl sulfide
Alternate Name(s) 3-(2-Chloro-benzylsulfanyl)-5-(3-fluoro-phenyl)-4-phenyl-4H-[1,2,4]triazole 3-[(2-chlorobenzyl)thio]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole 3-[(2-chlorophenyl)methylsulfanyl]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole 3-[(2-chlorophenyl)methylthio]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole
CAS Registry Number 329921-75-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15ClFN3S
InChI InChI=1S/C21H15ClFN3S/c22-19-12-5-4-7-16(19)14-27-21-25-24-20(15-8-6-9-17(23)13-15)26(21)18-10-2-1-3-11-18/h1-13H,14H2
InChIKey CIHRPCVURJWQGF-UHFFFAOYSA-N
Molecular Weight 395.883 g/mol
SMILES c1ccc(-[n]2c(nnc2SCc2c(Cl)cccc2)-c2cc(F)ccc2)cc1
SPLASH splash10-01t9-9713000000-878e9dadff3f2694fb09
Wiley ID 1459916