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6-(4-bromophenyl)-3-(2-pyridinyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID 26S2odAJumh
InChI InChI=1S/C15H10BrN5S/c16-11-6-4-10(5-7-11)13-9-22-15-19-18-14(21(15)20-13)12-3-1-2-8-17-12/h1-8H,9H2
InChIKey VDMJNSHAGCWNMO-UHFFFAOYSA-N
Mol Weight 372.24 g/mol
Molecular Formula C15H10BrN5S
Exact Mass 370.98403 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CeEvwbJcxTX
Name 6-(4-Bromophenyl)-3-(2-pyridinyl)-7H-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazine
Comments Computed using HOSE algorithm
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Exact Mass 370.984029516 u
Formula C15H10BrN5S
InChI InChI=1S/C15H10BrN5S/c16-11-6-4-10(5-7-11)13-9-22-15-19-18-14(21(15)20-13)12-3-1-2-8-17-12/h1-8H,9H2
InChIKey VDMJNSHAGCWNMO-UHFFFAOYSA-N
Molecular Weight 372.244 g/mol
SMILES C1=CC=NC(C=2N3N=C(C4=CC=C(C=C4)Br)CSC3=NN2)=C1