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1-(3-Methylthienyl)-4-{1-[8-(trifluoromethyl)quinolin -4-yl]-5-methyl-1H-1,2,3-triazol-4-yl}prop-2-en-1-one
SpectraBase Compound ID 5b2eYFMus35
InChI InChI=1S/C21H15F3N4OS/c1-12-9-11-30-18(12)7-6-17(29)19-13(2)28(27-26-19)16-8-10-25-20-14(16)4-3-5-15(20)21(22,23)24/h3-11H,1-2H3/b7-6+
InChIKey PQOJQEQOQQRQGD-VOTSOKGWSA-N
Mol Weight 428.43 g/mol
Molecular Formula C21H15F3N4OS
Exact Mass 428.091867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Un0Zjsiu5R
Name 1-(3-Methylthienyl)-4-{1-[8-(trifluoromethyl)quinolin -4-yl]-5-methyl-1H-1,2,3-triazol-4-yl}prop-2-en-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15F3N4OS
InChI InChI=1S/C21H15F3N4OS/c1-12-9-11-30-18(12)7-6-17(29)19-13(2)28(27-26-19)16-8-10-25-20-14(16)4-3-5-15(20)21(22,23)24/h3-11H,1-2H3/b7-6+
InChIKey PQOJQEQOQQRQGD-VOTSOKGWSA-N
Molecular Weight 428.433 g/mol
SMILES c1(nn[n](c1C)-c1c2c(c(C(F)(F)F)ccc2)ncc1)C(\C=C\c1c(ccs1)C)=O
SPLASH splash10-009b-1931300000-8e02cacfb42710aa4bd4
Source of Spectrum EMC-40-1178-6h
Synonyms 3-(3-Methylthien-2-yl)-1-{1-[8-(trifluoromethyl)quinolin -4-yl]-5-methyl-1H-1,2,3-triazol-4-yl}prop-2-en-1-one (E)-1-(5-methyl-1-(8-(trifluoromethyl)quinolin-4-yl)-1H-1,2,3-triazol-4-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one (E)-3-(3-methyl-2-thiophenyl)-1-[5-methyl-1-[8-(trifluoromethyl)-4-quinolinyl]-4-triazolyl]-2-propen-1-one (E)-3-(3-methylthiophen-2-yl)-1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]prop-2-en-1-one (E)-3-(3-methylthiophen-2-yl)-1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]-1,2,3-triazol-4-yl]prop-2-en-1-one
Wiley ID 1734971