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3-[(2,1,3-benzoxadiazol-5-ylmethyl)sulfanyl]-8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
SpectraBase Compound ID FCSoSRImPaA
InChI InChI=1S/C17H11BrN6OS/c1-24-14-5-3-10(18)7-11(14)15-16(24)19-17(21-20-15)26-8-9-2-4-12-13(6-9)23-25-22-12/h2-7H,8H2,1H3
InChIKey GKEJCVSHTBYBGQ-UHFFFAOYSA-N
Mol Weight 427.28 g/mol
Molecular Formula C17H11BrN6OS
Exact Mass 425.989843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgpVLgrIsc1
Name 3-[(2,1,3-benzoxadiazol-5-ylmethyl)sulfanyl]-8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11BrN6OS
InChI InChI=1S/C17H11BrN6OS/c1-24-14-5-3-10(18)7-11(14)15-16(24)19-17(21-20-15)26-8-9-2-4-12-13(6-9)23-25-22-12/h2-7H,8H2,1H3
InChIKey GKEJCVSHTBYBGQ-UHFFFAOYSA-N
Molecular Weight 427.280 g/mol
SMILES c12c(c3cc(Br)ccc3[n]2C)nnc(n1)SCc1cc2nonc2cc1
SPLASH splash10-002f-3931100000-9bce42ce551f79d48e9e
Synonyms 5-[(8-bromanyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-2,1,3-benzoxadiazole 5-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-2,1,3-benzoxadiazole 5-[[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]-2,1,3-benzoxadiazole 5-[[(8-bromo-5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]methyl]benzofurazan
Wiley ID 1442263