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3-Cyano-5-amino-4-[(3-thienyl)thio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
SpectraBase Compound ID 64YbxPadc0m
InChI InChI=1S/C15H7Cl2F3N4S2/c16-9-3-7(15(18,19)20)4-10(17)12(9)24-14(22)13(11(5-21)23-24)26-8-1-2-25-6-8/h1-4,6H,22H2
InChIKey IJRCRYSIHVTUTB-UHFFFAOYSA-N
Mol Weight 435.27 g/mol
Molecular Formula C15H7Cl2F3N4S2
Exact Mass 433.944128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5qpeyVDXqYy
Name 3-Cyano-5-amino-4-[(3-thienyl)thio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
Comments Less than 3 mono-isotopic peaks
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Formula C15H7Cl2F3N4S2
InChI InChI=1S/C15H7Cl2F3N4S2/c16-9-3-7(15(18,19)20)4-10(17)12(9)24-14(22)13(11(5-21)23-24)26-8-1-2-25-6-8/h1-4,6H,22H2
InChIKey IJRCRYSIHVTUTB-UHFFFAOYSA-N
Molecular Weight 435.270 g/mol
SMILES Nc1[n](nc(C#N)c1Sc1ccsc1)-c1c(cc(C(F)(F)F)cc1Cl)Cl
SPLASH splash10-0019-0000900000-85a50c277da37f75cecc
Source of Spectrum F4-41-927-17
Wiley ID 1672224