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3-(methylthio)-5-prop-2-enyl-[1,2,4]triazino[5,6-b]indole
SpectraBase Compound ID 16DaTxXCbp2
InChI InChI=1S/C13H12N4S/c1-3-8-17-10-7-5-4-6-9(10)11-12(17)14-13(18-2)16-15-11/h3-7H,1,8H2,2H3
InChIKey JBLJHFICBUFFQL-UHFFFAOYSA-N
Mol Weight 256.33 g/mol
Molecular Formula C13H12N4S
Exact Mass 256.078268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBD4Kh7tpO5
Name 3-(methylthio)-5-prop-2-enyl-[1,2,4]triazino[5,6-b]indole
Alternate Name(s) 3-Methylsulfanyl-5-prop-2-enyl-[1,2,4]triazino[5,6-b]indole 5-Allyl-3-(methylthio)-[1,2,4]triazin[5,6-b]indole 5-Allyl-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole 5H-[1,2,4]Triazino[5,6-b]indole, 3-(methylthio)-5-(2-propenyl)-
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Formula C13H12N4S
InChI InChI=1S/C13H12N4S/c1-3-8-17-10-7-5-4-6-9(10)11-12(17)14-13(18-2)16-15-11/h3-7H,1,8H2,2H3
InChIKey JBLJHFICBUFFQL-UHFFFAOYSA-N
Molecular Weight 256.327 g/mol
SMILES c12c(c3ccccc3[n]2CC=C)nnc(n1)SC
SPLASH splash10-0a4i-4390000000-5f2f6a5b4a18772f5773
Wiley ID 1447179