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6-(1-p-Bromophenyl-5-methyl-1,2,3-triazol-4-yl)-3-phenyl-s-triazolo[3,4-b]1,3,4-thiadiazole
SpectraBase Compound ID Gq6mvL4E6pC
InChI InChI=1S/C18H12BrN7S/c1-11-15(20-24-25(11)14-9-7-13(19)8-10-14)17-23-26-16(21-22-18(26)27-17)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey LABRNBRMJCBSSU-UHFFFAOYSA-N
Mol Weight 438.31 g/mol
Molecular Formula C18H12BrN7S
Exact Mass 437.005828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Y8hHHqKvgI
Name 6-(1-p-Bromophenyl-5-methyl-1,2,3-triazol-4-yl)-3-phenyl-s-triazolo[3,4-b]1,3,4-thiadiazole
Alternate Name(s) 6-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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Formula C18H12BrN7S
InChI InChI=1S/C18H12BrN7S/c1-11-15(20-24-25(11)14-9-7-13(19)8-10-14)17-23-26-16(21-22-18(26)27-17)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey LABRNBRMJCBSSU-UHFFFAOYSA-N
Molecular Weight 438.307 g/mol
SMILES c12[n](N=C(S2)c2nn[n](c2C)-c2ccc(cc2)Br)c(nn1)-c1ccccc1
SPLASH splash10-000i-0411900000-0376a63adccb99c01a02
Source of Spectrum QA-45-537-3
Wiley ID 862932