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7-[5-(4-bromophenyl)-2-furanyl]-3-tert-butyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SpectraBase Compound ID LehXOOGJxYa
InChI InChI=1S/C18H15BrN4O2S/c1-18(2,3)14-16(24)23-17(21-20-14)26-15(22-23)13-9-8-12(25-13)10-4-6-11(19)7-5-10/h4-9H,1-3H3
InChIKey IVVWQIAJGMIETE-UHFFFAOYSA-N
Mol Weight 431.31 g/mol
Molecular Formula C18H15BrN4O2S
Exact Mass 430.00991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkGpwOsFkq9
Name 7-[5-(4-bromophenyl)-2-furanyl]-3-tert-butyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
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Formula C18H15BrN4O2S
InChI InChI=1S/C18H15BrN4O2S/c1-18(2,3)14-16(24)23-17(21-20-14)26-15(22-23)13-9-8-12(25-13)10-4-6-11(19)7-5-10/h4-9H,1-3H3
InChIKey IVVWQIAJGMIETE-UHFFFAOYSA-N
Molecular Weight 431.308 g/mol
SMILES C12=NN=C(C(N2N=C(S1)c1oc(cc1)-c1ccc(cc1)Br)=O)C(C)(C)C
SPLASH splash10-001i-0911500000-ec2931fc2b82ef900df2
Source of Spectrum Y1-41-2691-5
Synonyms 7-[5-(4-bromophenyl)-2-furyl]-3-tert-butyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one 7-[5-(4-bromophenyl)furan-2-yl]-3-tert-butyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Wiley ID 1565122