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N-[2-[6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]phenyl]-4-methoxy-benzamide
SpectraBase Compound ID 3XrKE0SN0qr
InChI InChI=1S/C24H18BrN5O2S/c1-32-18-12-8-16(9-13-18)23(31)26-20-5-3-2-4-19(20)22-27-28-24-30(22)29-21(14-33-24)15-6-10-17(25)11-7-15/h2-13H,14H2,1H3,(H,26,31)
InChIKey IPYXSSHUHXRYNV-UHFFFAOYSA-N
Mol Weight 520.41 g/mol
Molecular Formula C24H18BrN5O2S
Exact Mass 519.036459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39ZLYEQFQsu
Name N-[2-[6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]phenyl]-4-methoxy-benzamide
CAS Registry Number 106346-34-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18BrN5O2S
InChI InChI=1S/C24H18BrN5O2S/c1-32-18-12-8-16(9-13-18)23(31)26-20-5-3-2-4-19(20)22-27-28-24-30(22)29-21(14-33-24)15-6-10-17(25)11-7-15/h2-13H,14H2,1H3,(H,26,31)
InChIKey IPYXSSHUHXRYNV-UHFFFAOYSA-N
Molecular Weight 520.405 g/mol
SMILES N(C(c1ccc(cc1)OC)=O)c1c(-c2[n]3N=C(c4ccc(cc4)Br)CSc3nn2)cccc1
SPLASH splash10-052r-0309610000-ac7366ac55c13787090a
Source of Spectrum Y-23-47-6
Wiley ID 1401814