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3-[(2,1,3-benzoxadiazol-5-ylmethyl)sulfanyl]-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole
SpectraBase Compound ID F1jFcWGl9FA
InChI InChI=1S/C24H18N6OS/c1-2-6-16(7-3-1)12-13-30-21-9-5-4-8-18(21)22-23(30)25-24(27-26-22)32-15-17-10-11-19-20(14-17)29-31-28-19/h1-11,14H,12-13,15H2
InChIKey TUBYATAHDVEIRP-UHFFFAOYSA-N
Mol Weight 438.51 g/mol
Molecular Formula C24H18N6OS
Exact Mass 438.12628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B23EJcyaUC0
Name 3-[(2,1,3-benzoxadiazol-5-ylmethyl)sulfanyl]-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole
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Formula C24H18N6OS
InChI InChI=1S/C24H18N6OS/c1-2-6-16(7-3-1)12-13-30-21-9-5-4-8-18(21)22-23(30)25-24(27-26-22)32-15-17-10-11-19-20(14-17)29-31-28-19/h1-11,14H,12-13,15H2
InChIKey TUBYATAHDVEIRP-UHFFFAOYSA-N
Molecular Weight 438.509 g/mol
SMILES c12c(c3ccccc3[n]2CCc2ccccc2)nnc(n1)SCc1cc2nonc2cc1
SPLASH splash10-052f-7930200000-692bd00e524e58d9e7b5
Synonyms 5-[(5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-2,1,3-benzoxadiazole 5-[[(5-phenethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]methyl]benzofurazan 5-[[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]thio]methyl]-2,1,3-benzoxadiazole
Wiley ID 1442268