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2-((5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone
SpectraBase Compound ID 8oi152vX7IM
InChI InChI=1S/C18H13ClN6OS/c19-14-8-6-13(7-9-14)16-22-18(24-23-16)27-17(25-11-20-10-21-25)15(26)12-4-2-1-3-5-12/h1-11,17H,(H,22,23,24)
InChIKey ZNVURJUYNLJVPF-UHFFFAOYSA-N
Mol Weight 396.86 g/mol
Molecular Formula C18H13ClN6OS
Exact Mass 396.056008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6yw7CVb448H
Name 2-((5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone
Alternate Name(s) 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13ClN6OS
InChI InChI=1S/C18H13ClN6OS/c19-14-8-6-13(7-9-14)16-22-18(24-23-16)27-17(25-11-20-10-21-25)15(26)12-4-2-1-3-5-12/h1-11,17H,(H,22,23,24)
InChIKey ZNVURJUYNLJVPF-UHFFFAOYSA-N
Molecular Weight 396.856 g/mol
SMILES [nH]1c(nnc1SC(C(c1ccccc1)=O)[n]1ncnc1)-c1ccc(cc1)Cl
SPLASH splash10-0a4r-0900000000-cc2da1165d916aed2dad
Source of Spectrum Y1-39B-792-4c
Wiley ID 1743977