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5-(4-butoxyphenyl)-N-(pyridin-4-ylmethylene)-1,3,4-thiadiazol-2-amine
SpectraBase Compound ID KMbIW7Kqrin
InChI InChI=1S/C18H18N4OS/c1-2-3-12-23-16-6-4-15(5-7-16)17-21-22-18(24-17)20-13-14-8-10-19-11-9-14/h4-11,13H,2-3,12H2,1H3/b20-13+
InChIKey YVNJFXYODAUXLU-DEDYPNTBSA-N
Mol Weight 338.43 g/mol
Molecular Formula C18H18N4OS
Exact Mass 338.120132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6cL9QK2xRcW
Name 5-(4-butoxyphenyl)-N-(pyridin-4-ylmethylene)-1,3,4-thiadiazol-2-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N4OS
InChI InChI=1S/C18H18N4OS/c1-2-3-12-23-16-6-4-15(5-7-16)17-21-22-18(24-17)20-13-14-8-10-19-11-9-14/h4-11,13H,2-3,12H2,1H3/b20-13+
InChIKey YVNJFXYODAUXLU-DEDYPNTBSA-N
Literature Reference DOI 10.1002/cjoc.20010190912
Molecular Weight 338.429 g/mol
SMILES c1(sc(nn1)\N=C\c1ccncc1)-c1ccc(cc1)OCCCC
SPLASH splash10-000i-1139000000-4449619fa80b29700afb
Source of Spectrum CJC-19-871-Ia
Synonyms (E)-5-(4-butoxyphenyl)-N-(pyridin-4-ylmethylene)-1,3,4-thiadiazol-2-amine
Wiley ID 1773608