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6-(4-Chloro-8-methylquinolin-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

View entire compound with spectra: 1 MS (GC)

6-(4-Chloro-8-methylquinolin-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID 7qibMjaM7ww
InChI InChI=1S/C20H14ClN5OS/c1-11-4-3-5-14-16(21)15(10-22-17(11)14)19-25-26-18(23-24-20(26)28-19)12-6-8-13(27-2)9-7-12/h3-10H,1-2H3
InChIKey YDNSKKQDBVDWPN-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 1sqat0opGU4
Name 6-(4-Chloro-8-methylquinolin-3-yl)-3-(4-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/c1-11-4-3-5-14-16(21)15(10-22-17(11)14)19-25-26-18(23-24-20(26)28-19)12-6-8-13(27-2)9-7-12/h3-10H,1-2H3
InChIKey YDNSKKQDBVDWPN-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)-c2ccc(cc2)OC)N1)Cl)C
SPLASH splash10-0a4r-0530900000-1dbb3ee078528ae7e8df
Source of Spectrum CJC-19-805-4n
Synonyms 6-(4-Chloro-8-methyl-3-quinolinyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-(4-Chloranyl-8-methyl-quinolin-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Wiley ID 1773599