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acetamide, N-[4-(aminosulfonyl)phenyl]-2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-
SpectraBase Compound ID KScSxP9nvWk
InChI InChI=1S/C18H15BrN6O3S2/c1-25-14-7-2-10(19)8-13(14)16-17(25)22-18(24-23-16)29-9-15(26)21-11-3-5-12(6-4-11)30(20,27)28/h2-8H,9H2,1H3,(H,21,26)(H2,20,27,28)
InChIKey BARWPCZVADVFQP-UHFFFAOYSA-N
Mol Weight 507.38 g/mol
Molecular Formula C18H15BrN6O3S2
Exact Mass 505.983044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4M9YoGKLIm
Name 2-[(8-bromanyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)ethanamide
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Formula C18H15BrN6O3S2
InChI InChI=1S/C18H15BrN6O3S2/c1-25-14-7-2-10(19)8-13(14)16-17(25)22-18(24-23-16)29-9-15(26)21-11-3-5-12(6-4-11)30(20,27)28/h2-8H,9H2,1H3,(H,21,26)(H2,20,27,28)
InChIKey BARWPCZVADVFQP-UHFFFAOYSA-N
Molecular Weight 507.381 g/mol
SMILES N(C(CSc1nc2c(c3cc(Br)ccc3[n]2C)nn1)=O)c1ccc(S(=O)(=O)N)cc1
SPLASH splash10-052f-9300000000-f2ff44dea392d5a00083
Synonyms 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-N-(4-sulfamoylphenyl)acetamide 2-[(8-bromo-5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-N-(4-sulfamoylphenyl)acetamide
Wiley ID 1446759