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1-Benzothiophene-3-carbonitrile, 2-[[4,5-dihydro-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]amino]-4,5,6,7-tetrahydro-

View entire compound with spectra: 1 MS (GC)

1-Benzothiophene-3-carbonitrile, 2-[[4,5-dihydro-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]amino]-4,5,6,7-tetrahydro-
SpectraBase Compound ID JMfrYFXtyhi
InChI InChI=1S/C19H15F3N4OS/c20-19(21,22)18(17(27)24-15(25-18)11-6-2-1-3-7-11)26-16-13(10-23)12-8-4-5-9-14(12)28-16/h1-3,6-7,26H,4-5,8-9H2,(H,24,25,27)
InChIKey YSDLCEIQVOVXLW-UHFFFAOYSA-N
Mol Weight 404.41 g/mol
Molecular Formula C19H15F3N4OS
Exact Mass 404.091867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1M6IDNlh23e
Name 1-Benzothiophene-3-carbonitrile, 2-[[4,5-dihydro-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]amino]-4,5,6,7-tetrahydro-
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15F3N4OS
InChI InChI=1S/C19H15F3N4OS/c20-19(21,22)18(17(27)24-15(25-18)11-6-2-1-3-7-11)26-16-13(10-23)12-8-4-5-9-14(12)28-16/h1-3,6-7,26H,4-5,8-9H2,(H,24,25,27)
InChIKey YSDLCEIQVOVXLW-UHFFFAOYSA-N
Molecular Weight 404.411 g/mol
SMILES N(c1sc2CCCCc2c1C#N)C1(N=C(NC1=O)c1ccccc1)C(F)(F)F
SPLASH splash10-0fb9-4900000000-9487adc46bd2148d0367
Source of Spectrum IY-1-4601-4
Synonyms 2-[[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile 2-[[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile 2-[[5-oxidanylidene-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Wiley ID 1653997