For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-Methyl-3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
SpectraBase Compound ID 3DgBBjFLZjA
InChI InChI=1S/C18H13F3N4S/c1-25-14-8-3-2-7-13(14)15-16(25)22-17(24-23-15)26-10-11-5-4-6-12(9-11)18(19,20)21/h2-9H,10H2,1H3
InChIKey BFLIYQNEFPITSB-UHFFFAOYSA-N
Mol Weight 374.39 g/mol
Molecular Formula C18H13F3N4S
Exact Mass 374.081302 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DrJXjDJ8ipd
Name 5-Methyl-3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13F3N4S
InChI InChI=1S/C18H13F3N4S/c1-25-14-8-3-2-7-13(14)15-16(25)22-17(24-23-15)26-10-11-5-4-6-12(9-11)18(19,20)21/h2-9H,10H2,1H3
InChIKey BFLIYQNEFPITSB-UHFFFAOYSA-N
Molecular Weight 374.385 g/mol
SMILES c12c(c3ccccc3[n]2C)nnc(n1)SCc1cc(C(F)(F)F)ccc1
SPLASH splash10-0596-2902000000-5562d668f0b2ce23e912
Synonyms 5-Methyl-3-[[3-(trifluoromethyl)benzyl]thio]-[1,2,4]triazin[5,6-b]indole 5-Methyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazino[5,6-b]indole 5-Methyl-3-[[3-(trifluoromethyl)phenyl]methylthio]-[1,2,4]triazino[5,6-b]indole
Wiley ID 1452141