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3-Cyano-5-amino-4-[(4-methoxyphenyl)thio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
SpectraBase Compound ID 2c1xfkIqSmq
InChI InChI=1S/C18H11Cl2F3N4OS/c1-28-10-2-4-11(5-3-10)29-16-14(8-24)26-27(17(16)25)15-12(19)6-9(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3
InChIKey BTUOBMAQBXIACI-UHFFFAOYSA-N
Mol Weight 459.27 g/mol
Molecular Formula C18H11Cl2F3N4OS
Exact Mass 457.998272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GyGVakRLQQj
Name 3-Cyano-5-amino-4-[(4-methoxyphenyl)thio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11Cl2F3N4OS
InChI InChI=1S/C18H11Cl2F3N4OS/c1-28-10-2-4-11(5-3-10)29-16-14(8-24)26-27(17(16)25)15-12(19)6-9(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3
InChIKey BTUOBMAQBXIACI-UHFFFAOYSA-N
Molecular Weight 459.274 g/mol
SMILES Nc1[n](nc(C#N)c1Sc1ccc(cc1)OC)-c1c(cc(C(F)(F)F)cc1Cl)Cl
SPLASH splash10-0a4i-0610900000-26e11498c9fcb6e6b21d
Source of Spectrum F4-41-925-7
Wiley ID 1672233