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benzoic acid, 4-[[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]-, methyl ester
SpectraBase Compound ID Jnye2TR13oX
InChI InChI=1S/C19H16N4O2S/c1-23-15-6-4-3-5-14(15)16-17(23)20-19(22-21-16)26-11-12-7-9-13(10-8-12)18(24)25-2/h3-10H,11H2,1-2H3
InChIKey BVNXGOAXQYBMHL-UHFFFAOYSA-N
Mol Weight 364.42 g/mol
Molecular Formula C19H16N4O2S
Exact Mass 364.099397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HaMKvWWnTYC
Name 4-[[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]benzoic acid methyl ester
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Formula C19H16N4O2S
InChI InChI=1S/C19H16N4O2S/c1-23-15-6-4-3-5-14(15)16-17(23)20-19(22-21-16)26-11-12-7-9-13(10-8-12)18(24)25-2/h3-10H,11H2,1-2H3
InChIKey BVNXGOAXQYBMHL-UHFFFAOYSA-N
Molecular Weight 364.423 g/mol
SMILES c12c(c3ccccc3[n]2C)nnc(n1)SCc1ccc(C(=O)OC)cc1
SPLASH splash10-000f-8901000000-b4f63ae49d7bb6bca138
Synonyms 4-[[(5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]methyl]benzoic acid methyl ester Methyl 4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]benzoate Methyl 4-{[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}benzoate
Wiley ID 1452793