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3-Cyano-5-amino-4-[(2-nitrophenyl)thio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
SpectraBase Compound ID AMzTz0AHcEM
InChI InChI=1S/C17H8Cl2F3N5O2S/c18-9-5-8(17(20,21)22)6-10(19)14(9)26-16(24)15(11(7-23)25-26)30-13-4-2-1-3-12(13)27(28)29/h1-6H,24H2
InChIKey ORFRTCMYUIZFNH-UHFFFAOYSA-N
Mol Weight 474.25 g/mol
Molecular Formula C17H8Cl2F3N5O2S
Exact Mass 472.972786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BliiZYNZbAR
Name 3-Cyano-5-amino-4-[(2-nitrophenyl)thio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
Comments Less than 3 mono-isotopic peaks
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Formula C17H8Cl2F3N5O2S
InChI InChI=1S/C17H8Cl2F3N5O2S/c18-9-5-8(17(20,21)22)6-10(19)14(9)26-16(24)15(11(7-23)25-26)30-13-4-2-1-3-12(13)27(28)29/h1-6H,24H2
InChIKey ORFRTCMYUIZFNH-UHFFFAOYSA-N
Molecular Weight 474.245 g/mol
SMILES Nc1c(Sc2c(N(=O)=O)cccc2)c(n[n]1-c1c(cc(C(F)(F)F)cc1Cl)Cl)C#N
SPLASH splash10-00fr-0000900000-5c0900cd2306095f0dad
Source of Spectrum F4-41-925-15
Wiley ID 1672226