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3-Cyano-5-amino-4-[(4-fluorophenyl)thio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
SpectraBase Compound ID Kc6uhCh8mAH
InChI InChI=1S/C17H8Cl2F4N4S/c18-11-5-8(17(21,22)23)6-12(19)14(11)27-16(25)15(13(7-24)26-27)28-10-3-1-9(20)2-4-10/h1-6H,25H2
InChIKey YZBQHAZBYPMEDO-UHFFFAOYSA-N
Mol Weight 447.24 g/mol
Molecular Formula C17H8Cl2F4N4S
Exact Mass 445.978285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36Aww2NhNEj
Name 3-Cyano-5-amino-4-[(4-fluorophenyl)thio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
Comments Less than 3 mono-isotopic peaks
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Formula C17H8Cl2F4N4S
InChI InChI=1S/C17H8Cl2F4N4S/c18-11-5-8(17(21,22)23)6-12(19)14(11)27-16(25)15(13(7-24)26-27)28-10-3-1-9(20)2-4-10/h1-6H,25H2
InChIKey YZBQHAZBYPMEDO-UHFFFAOYSA-N
Molecular Weight 447.239 g/mol
SMILES Nc1[n](nc(C#N)c1Sc1ccc(cc1)F)-c1c(cc(C(F)(F)F)cc1Cl)Cl
SPLASH splash10-0002-0000900000-345b517e69296a58e31b
Source of Spectrum F4-41-925-9
Synonyms 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(4-fluorophenyl)thio]-3-pyrazolecarbonitrile 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanylpyrazole-3-carbonitrile 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-pyrazole-3-carbonitrile 5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-pyrazole-3-carbonitrile
Wiley ID 1672231