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6-(4,6-dichloroquinolin-3-yl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID 1TuJYbfP5bU
InChI InChI=1S/C19H11Cl2N5OS/c1-27-12-4-2-3-10(7-12)17-23-24-19-26(17)25-18(28-19)14-9-22-15-6-5-11(20)8-13(15)16(14)21/h2-9H,1H3
InChIKey RJKXFNIOZQIQHX-UHFFFAOYSA-N
Mol Weight 428.3 g/mol
Molecular Formula C19H11Cl2N5OS
Exact Mass 427.006137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cs0oFS3Ezia
Name 6-(4,6-dichloroquinolin-3-yl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Alternate Name(s) 6-(4,6-dichloro-3-quinolinyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-[4,6-bis(chloranyl)quinolin-3-yl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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Formula C19H11Cl2N5OS
InChI InChI=1S/C19H11Cl2N5OS/c1-27-12-4-2-3-10(7-12)17-23-24-19-26(17)25-18(28-19)14-9-22-15-6-5-11(20)8-13(15)16(14)21/h2-9H,1H3
InChIKey RJKXFNIOZQIQHX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20010190816
Molecular Weight 428.297 g/mol
SMILES c1cc(cc2c(c(cnc12)C=1Sc2[n](c(nn2)-c2cccc(c2)OC)N1)Cl)Cl
SPLASH splash10-0059-0540900000-2a97f4d38491b3a7e455
Source of Spectrum CJC-19-805-4s
Wiley ID 1773602