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3-[(2,1,3-benzoxadiazol-5-ylmethyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
SpectraBase Compound ID 6P7TrmGI0sB
InChI InChI=1S/C17H12N6OS/c1-23-14-5-3-2-4-11(14)15-16(23)18-17(20-19-15)25-9-10-6-7-12-13(8-10)22-24-21-12/h2-8H,9H2,1H3
InChIKey OEFGNEWXBMYHQO-UHFFFAOYSA-N
Mol Weight 348.38 g/mol
Molecular Formula C17H12N6OS
Exact Mass 348.07933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xyYTWVdfmj
Name 3-[(2,1,3-benzoxadiazol-5-ylmethyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
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Formula C17H12N6OS
InChI InChI=1S/C17H12N6OS/c1-23-14-5-3-2-4-11(14)15-16(23)18-17(20-19-15)25-9-10-6-7-12-13(8-10)22-24-21-12/h2-8H,9H2,1H3
InChIKey OEFGNEWXBMYHQO-UHFFFAOYSA-N
Molecular Weight 348.384 g/mol
SMILES c12c(c3ccccc3[n]2C)nnc(n1)SCc1cc2nonc2cc1
SPLASH splash10-0fry-3913000000-031f1055f817af0fd01f
Synonyms 5-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-2,1,3-benzoxadiazole 5-[[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]-2,1,3-benzoxadiazole 5-[[(5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]methyl]benzofurazan
Wiley ID 1442265