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4-{[(3-chlorophenyl)methylidene]amino}-5-[(3,4,5-trimethoxyphenyl)methyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID AFkmFkKm2GP
InChI InChI=1S/C19H19ClN4O3S/c1-25-15-8-13(9-16(26-2)18(15)27-3)10-17-22-23-19(28)24(17)21-11-12-5-4-6-14(20)7-12/h4-9,11H,10H2,1-3H3,(H,23,28)/b21-11+
InChIKey ISVVUMQUSLYEKB-SRZZPIQSSA-N
Mol Weight 418.9 g/mol
Molecular Formula C19H19ClN4O3S
Exact Mass 418.086639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7ZLLFZnWzR
Name 4-{[(3-chlorophenyl)methylidene]amino}-5-[(3,4,5-trimethoxyphenyl)methyl]-4H-1,2,4-triazole-3-thiol
Alternate Name(s) (E)-4-((3-chlorobenzylidene)amino)-5-(3,4,5-trimethoxybenzyl)-4H-1,2,4-triazole-3-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19ClN4O3S
InChI InChI=1S/C19H19ClN4O3S/c1-25-15-8-13(9-16(26-2)18(15)27-3)10-17-22-23-19(28)24(17)21-11-12-5-4-6-14(20)7-12/h4-9,11H,10H2,1-3H3,(H,23,28)/b21-11+
InChIKey ISVVUMQUSLYEKB-SRZZPIQSSA-N
Literature Reference DOI 10.1002/ardp.201600021
Molecular Weight 418.899 g/mol
SMILES Sc1nnc([n]1\N=C\c1cc(ccc1)Cl)Cc1cc(c(c(c1)OC)OC)OC
SPLASH splash10-015i-2690100000-24128339ce91e424c736
Source of Spectrum APC-349-677-H_23
Wiley ID 1800721