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3-(3-Methylbenzofuran-2-yl)-6-methyl-7-(4-chlorophenylhydrazono)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine
SpectraBase Compound ID JgkG1dEnrtR
InChI InChI=1S/C20H15ClN6OS/c1-11-15-5-3-4-6-16(15)28-17(11)18-23-25-20-27(18)26-12(2)19(29-20)24-22-14-9-7-13(21)8-10-14/h3-10,22H,1-2H3
InChIKey GWEPZRXCIBFSHU-UHFFFAOYSA-N
Mol Weight 422.89 g/mol
Molecular Formula C20H15ClN6OS
Exact Mass 422.071658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWEhap5kuQv
Name 3-(3-Methylbenzofuran-2-yl)-6-methyl-7-(4-chlorophenylhydrazono)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15ClN6OS
InChI InChI=1S/C20H15ClN6OS/c1-11-15-5-3-4-6-16(15)28-17(11)18-23-25-20-27(18)26-12(2)19(29-20)24-22-14-9-7-13(21)8-10-14/h3-10,22H,1-2H3
InChIKey GWEPZRXCIBFSHU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20162
Molecular Weight 422.894 g/mol
SMILES N(N=C1C(=N[n]2c(-c3oc4ccccc4c3C)nnc2S1)C)c1ccc(cc1)Cl
SPLASH splash10-004i-9200500000-f8f8efb9212ab6769114
Source of Spectrum HAC-16-626-12d
Synonyms 7-(2-(4-chlorophenyl)hydrazineylidene)-6-methyl-3-(3-methylbenzofuran-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Wiley ID 1783599