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6-(4-Chloro-8-methylquinolin-3-yl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID IHMKZhn25FP
InChI InChI=1S/C20H14ClN5OS/c1-11-5-3-8-14-16(21)15(10-22-17(11)14)19-25-26-18(23-24-20(26)28-19)12-6-4-7-13(9-12)27-2/h3-10H,1-2H3
InChIKey ZOUMRLNOBVYPFE-UHFFFAOYSA-N
Mol Weight 407.88 g/mol
Molecular Formula C20H14ClN5OS
Exact Mass 407.060759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CoNbKBmgg2
Name 6-(4-Chloro-8-methylquinolin-3-yl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14ClN5OS
InChI InChI=1S/C20H14ClN5OS/c1-11-5-3-8-14-16(21)15(10-22-17(11)14)19-25-26-18(23-24-20(26)28-19)12-6-4-7-13(9-12)27-2/h3-10H,1-2H3
InChIKey ZOUMRLNOBVYPFE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20010190816
Molecular Weight 407.879 g/mol
SMILES c1(cccc2c(c(cnc12)C=1Sc2[n](c(nn2)-c2cccc(c2)OC)N1)Cl)C
SPLASH splash10-0a4i-0340900000-d97fc7956c98f39a0a5b
Source of Spectrum CJC-19-805-4m
Synonyms 6-(4-Chloro-8-methyl-3-quinolinyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-(4-Chloranyl-8-methyl-quinolin-3-yl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Wiley ID 1773598