2-[(4-Cyano-5,6,7,8-tetrahydro-1-methyl-3-isoquinolyl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide

SpectraBase Compound ID	Fh1L4Cnb7mG
InChI	InChI=1S/C20H18F3N3OS/c1-12-15-7-2-3-8-16(15)17(10-24)19(25-12)28-11-18(27)26-14-6-4-5-13(9-14)20(21,22)23/h4-6,9H,2-3,7-8,11H2,1H3,(H,26,27)
InChIKey	UNGUQPXWIZYGSW-UHFFFAOYSA-N Google Search
Mol Weight	405.44 g/mol
Molecular Formula	C20H18F3N3OS
Exact Mass	405.112268 g/mol

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SpectraBase Spectrum ID	Dfur7KAx4XZ
Name	2-[(4-Cyano-5,6,7,8-tetrahydro-1-methyl-3-isoquinolyl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
CAS Registry Number	339156-36-4
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H18F3N3OS
InChI	InChI=1S/C20H18F3N3OS/c1-12-15-7-2-3-8-16(15)17(10-24)19(25-12)28-11-18(27)26-14-6-4-5-13(9-14)20(21,22)23/h4-6,9H,2-3,7-8,11H2,1H3,(H,26,27)
InChIKey	UNGUQPXWIZYGSW-UHFFFAOYSA-N
Molecular Weight	405.439 g/mol
SMILES	N(C(CSc1c(c2CCCCc2c(n1)C)C#N)=O)c1cc(ccc1)C(F)(F)F
SPLASH	splash10-014i-5690000000-9932fe8f71b372ca65da
Synonyms	2-[(4-Cyano-1-methyl-5,6,7,8-tetrahydro-3-isoquinolinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
Wiley ID	1467321