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Isoquinoline, 2-[2-[[1-cyclopropyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-2-yl]thio]acetyl]-1,2,3,4-tetrahydro-
SpectraBase Compound ID 11YfaeCdEoX
InChI InChI=1S/C22H20F3N3OS/c23-22(24,25)16-5-8-19-18(11-16)26-21(28(19)17-6-7-17)30-13-20(29)27-10-9-14-3-1-2-4-15(14)12-27/h1-5,8,11,17H,6-7,9-10,12-13H2
InChIKey WVIQNQPHOBYRBC-UHFFFAOYSA-N
Mol Weight 431.48 g/mol
Molecular Formula C22H20F3N3OS
Exact Mass 431.127918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IuMRj3JCVxi
Name Isoquinoline, 2-[2-[[1-cyclopropyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-2-yl]thio]acetyl]-1,2,3,4-tetrahydro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20F3N3OS
InChI InChI=1S/C22H20F3N3OS/c23-22(24,25)16-5-8-19-18(11-16)26-21(28(19)17-6-7-17)30-13-20(29)27-10-9-14-3-1-2-4-15(14)12-27/h1-5,8,11,17H,6-7,9-10,12-13H2
InChIKey WVIQNQPHOBYRBC-UHFFFAOYSA-N
Molecular Weight 431.477 g/mol
SMILES c1cccc2CN(C(CSc3nc4c([n]3C3CC3)ccc(C(F)(F)F)c4)=O)CCc12
SPLASH splash10-008a-3910000000-121ea11d341bc9729803
Source of Spectrum IY-1-4585-5
Synonyms 2-[[1-cyclopropyl-5-(trifluoromethyl)-2-benzimidazolyl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone 2-[1-cyclopropyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Wiley ID 1653838