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3-Chloro-N-[1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]benzamide
SpectraBase Compound ID 9NhiqPbt235
InChI InChI=1S/C19H14ClF6N3OS/c20-11-5-3-4-10(8-11)15(30)28-17(18(21,22)23,19(24,25)26)29-16-13(9-27)12-6-1-2-7-14(12)31-16/h3-5,8,29H,1-2,6-7H2,(H,28,30)
InChIKey LPLFSHYMVUPPNY-UHFFFAOYSA-N
Mol Weight 481.84 g/mol
Molecular Formula C19H14ClF6N3OS
Exact Mass 481.04503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOhhbaI1DDE
Name 3-Chloro-N-[1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]benzamide
CAS Registry Number 309730-88-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14ClF6N3OS
InChI InChI=1S/C19H14ClF6N3OS/c20-11-5-3-4-10(8-11)15(30)28-17(18(21,22)23,19(24,25)26)29-16-13(9-27)12-6-1-2-7-14(12)31-16/h3-5,8,29H,1-2,6-7H2,(H,28,30)
InChIKey LPLFSHYMVUPPNY-UHFFFAOYSA-N
Molecular Weight 481.844 g/mol
SMILES N(c1c(c2CCCCc2s1)C#N)C(NC(c1cc(Cl)ccc1)=O)(C(F)(F)F)C(F)(F)F
SPLASH splash10-01ri-8912000000-ff2fc021d9d9db1a7883
Source of Spectrum AD-0-2532-0
Synonyms 3-Chloranyl-N-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]benzamide 3-Chloro-N-[1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]benzamide 3-Chloro-N-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide Benzothiophene-3-carbonitrile, 4,5,6,7-tetrahydro-2-[1-(3-chlorobenzoylamino)-2,2,2-trifluoro-1-trifluoromethylethylamino]-
Wiley ID 1429407