SpectraBase Spectrum ID |
CfGCNGc4JOT |
Name |
5,10,11,11a-Tetrahydro-5-methyl-4a-methylthio-1,4-bis(trifluoromethyl)-4aH-pyridazino[4,5-b][1]benzazepine |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C16H15F6N3S |
InChI |
InChI=1S/C16H15F6N3S/c1-25-11-6-4-3-5-9(11)7-8-10-12(15(17,18)19)23-24-13(16(20,21)22)14(10,25)26-2/h3-6,10H,7-8H2,1-2H3 |
InChIKey |
UQBSEJWFEVBILJ-UHFFFAOYSA-N |
Molecular Weight |
395.367 g/mol |
SMILES |
C12(C(C(C(F)(F)F)=NN=C2C(F)(F)F)CCc2c(N1C)cccc2)SC |
SPLASH |
splash10-0002-0009000000-8f8df334d04302aa190c |
Source of Spectrum |
H1-43-1973-15 |
Synonyms |
5-Methyl-4a-(methylsulfanyl)-1,4-bis(trifluoromethyl)-5,10,11,11a-tetrahydro-4aH-pyridazino[4,5-b][1]benzazepine
Methyl 5-methyl-1,4-bis(trifluoromethyl)-5,10,11,11a-tetrahydro-4aH-pyridazino[4,5-b][1]benzazepin-4a-yl sulfide |
Wiley ID |
757958 |