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6-(4,6-dichloroquinolin-3-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID Kp3Nof1w2P7
InChI InChI=1S/C18H9Cl2N5S/c19-11-6-7-14-12(8-11)15(20)13(9-21-14)17-24-25-16(22-23-18(25)26-17)10-4-2-1-3-5-10/h1-9H
InChIKey BPRSLNKNTCRMQC-UHFFFAOYSA-N
Mol Weight 398.27 g/mol
Molecular Formula C18H9Cl2N5S
Exact Mass 396.995572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AZgzXZvSog
Name 6-(4,6-dichloroquinolin-3-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Alternate Name(s) 6-(4,6-dichloro-3-quinolinyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-[4,6-bis(chloranyl)quinolin-3-yl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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Formula C18H9Cl2N5S
InChI InChI=1S/C18H9Cl2N5S/c19-11-6-7-14-12(8-11)15(20)13(9-21-14)17-24-25-16(22-23-18(25)26-17)10-4-2-1-3-5-10/h1-9H
InChIKey BPRSLNKNTCRMQC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20010190816
Molecular Weight 398.271 g/mol
SMILES c1cc(cc2c1ncc(c2Cl)C=1Sc2[n](N1)c(nn2)-c1ccccc1)Cl
SPLASH splash10-0f6t-0659100000-bc36371b37215755caf7
Source of Spectrum CJC-19-805-4x
Wiley ID 1773605