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5H-[1,2,4]triazino[5,6-b]indole-5-acetic acid, 3-[[2-[(3-bromophenyl)amino]-2-oxoethyl]thio]-
SpectraBase Compound ID H007Nt6GS4h
InChI InChI=1S/C19H14BrN5O3S/c20-11-4-3-5-12(8-11)21-15(26)10-29-19-22-18-17(23-24-19)13-6-1-2-7-14(13)25(18)9-16(27)28/h1-8H,9-10H2,(H,21,26)(H,27,28)
InChIKey GGBAKCJHDJDWFO-UHFFFAOYSA-N
Mol Weight 472.32 g/mol
Molecular Formula C19H14BrN5O3S
Exact Mass 471.000074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qYvzrzow6A
Name 2-[3-[2-(3-bromoanilino)-2-oxo-ethyl]sulfanyl-[1,2,4]triazino[5,6-b]indol-5-yl]acetic acid
Alternate Name(s) 2-[3-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-[1,2,4]triazino[5,6-b]indol-5-yl]ethanoic acid 2-[3-[[2-(3-bromoanilino)-2-keto-ethyl]thio]-[1,2,4]triazin[5,6-b]indol-5-yl]acetic acid 2-[3-[[2-(3-bromoanilino)-2-oxoethyl]thio]-[1,2,4]triazino[5,6-b]indol-5-yl]acetic acid
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Formula C19H14BrN5O3S
InChI InChI=1S/C19H14BrN5O3S/c20-11-4-3-5-12(8-11)21-15(26)10-29-19-22-18-17(23-24-19)13-6-1-2-7-14(13)25(18)9-16(27)28/h1-8H,9-10H2,(H,21,26)(H,27,28)
InChIKey GGBAKCJHDJDWFO-UHFFFAOYSA-N
Molecular Weight 472.317 g/mol
SMILES N(C(CSc1nnc2c([n](CC(=O)O)c3ccccc23)n1)=O)c1cc(Br)ccc1
SPLASH splash10-0006-9200000000-14190645494dc88e8941
Wiley ID 1452972