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3-[(2-methylphenyl)methylsulfanyl]-5-prop-2-enyl-[1,2,4]triazino[5,6-b]indole
SpectraBase Compound ID LB8O9DuwiN
InChI InChI=1S/C20H18N4S/c1-3-12-24-17-11-7-6-10-16(17)18-19(24)21-20(23-22-18)25-13-15-9-5-4-8-14(15)2/h3-11H,1,12-13H2,2H3
InChIKey PEEGNPDKKGRQTK-UHFFFAOYSA-N
Mol Weight 346.45 g/mol
Molecular Formula C20H18N4S
Exact Mass 346.125218 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VZWFLalou2
Name 3-[(2-methylphenyl)methylsulfanyl]-5-prop-2-enyl-[1,2,4]triazino[5,6-b]indole
Alternate Name(s) 3-[(2-methylphenyl)methylthio]-5-prop-2-enyl-[1,2,4]triazino[5,6-b]indole 5-Allyl-3-(o-tolylmethylsulfanyl)-[1,2,4]triazino[5,6-b]indole 5-Allyl-3-[(2-methylbenzyl)thio]-[1,2,4]triazin[5,6-b]indole 9H-1,3,4,9-Tetraazafluorene, 9-allyl-2-(2-methylbenzylsulfanyl)-
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Formula C20H18N4S
InChI InChI=1S/C20H18N4S/c1-3-12-24-17-11-7-6-10-16(17)18-19(24)21-20(23-22-18)25-13-15-9-5-4-8-14(15)2/h3-11H,1,12-13H2,2H3
InChIKey PEEGNPDKKGRQTK-UHFFFAOYSA-N
Molecular Weight 346.452 g/mol
SMILES c12c(c3ccccc3[n]2CC=C)nnc(n1)SCc1c(C)cccc1
SPLASH splash10-06te-6933000000-cd02ef266b577ad3e8a0
Wiley ID 1440575