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3-(Phenethylthio)-5H-[1,2,4]triazin[5,6-b]indole
SpectraBase Compound ID BVq5txvYZXb
InChI InChI=1S/C17H14N4S/c1-2-6-12(7-3-1)10-11-22-17-19-16-15(20-21-17)13-8-4-5-9-14(13)18-16/h1-9H,10-11H2,(H,18,19,21)
InChIKey DOSGTBDQBGEWHT-UHFFFAOYSA-N
Mol Weight 306.39 g/mol
Molecular Formula C17H14N4S
Exact Mass 306.093918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pWQ8xB35Js
Name 3-(Phenethylthio)-5H-[1,2,4]triazin[5,6-b]indole
Alternate Name(s) 3-Phenethylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole 3-[(2-phenylethyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole 9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl- 3-(2-phenylethylthio)-5H-[1,2,4]triazino[5,6-b]indole
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Formula C17H14N4S
InChI InChI=1S/C17H14N4S/c1-2-6-12(7-3-1)10-11-22-17-19-16-15(20-21-17)13-8-4-5-9-14(13)18-16/h1-9H,10-11H2,(H,18,19,21)
InChIKey DOSGTBDQBGEWHT-UHFFFAOYSA-N
Molecular Weight 306.387 g/mol
SMILES [nH]1c2ccccc2c2c1nc(nn2)SCCc1ccccc1
SPLASH splash10-0udi-4890000000-ccbeeb010891872b4d6b
Wiley ID 1438655