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5H-[1,2,4]Triazino[5,6-b]indole, 5-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-
SpectraBase Compound ID JiGVh7Qc6ua
InChI InChI=1S/C17H10F3N5O2S/c1-24-11-5-3-2-4-10(11)14-15(24)21-16(23-22-14)28-13-7-6-9(17(18,19)20)8-12(13)25(26)27/h2-8H,1H3
InChIKey QDOJRNCPOMCGBZ-UHFFFAOYSA-N
Mol Weight 405.36 g/mol
Molecular Formula C17H10F3N5O2S
Exact Mass 405.05073 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AoEAXCIHiSX
Name 5H-[1,2,4]Triazino[5,6-b]indole, 5-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10F3N5O2S
InChI InChI=1S/C17H10F3N5O2S/c1-24-11-5-3-2-4-10(11)14-15(24)21-16(23-22-14)28-13-7-6-9(17(18,19)20)8-12(13)25(26)27/h2-8H,1H3
InChIKey QDOJRNCPOMCGBZ-UHFFFAOYSA-N
Molecular Weight 405.355 g/mol
SMILES C(F)(F)(F)c1ccc(c(c1)N(=O)=O)Sc1nc2c(nn1)c1c([n]2C)cccc1
SPLASH splash10-0pb9-3914100000-ea3e68b7f32a5eb9ae75
Source of Spectrum IY-1-4476-4
Synonyms 5-Methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-[1,2,4]triazino[5,6-b]indole 5-Methyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazino[5,6-b]indole
Wiley ID 1652747