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3-(3-Methylbenzofuran-2-yl)-6-methyl-7-(4-tolylhydrazono)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine
SpectraBase Compound ID KcvXNbWTon4
InChI InChI=1S/C21H18N6OS/c1-12-8-10-15(11-9-12)22-24-20-14(3)26-27-19(23-25-21(27)29-20)18-13(2)16-6-4-5-7-17(16)28-18/h4-11,22H,1-3H3
InChIKey BUQZNOFJPDRIIY-UHFFFAOYSA-N
Mol Weight 402.48 g/mol
Molecular Formula C21H18N6OS
Exact Mass 402.12628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKoBBXu1Y9G
Name 3-(3-Methylbenzofuran-2-yl)-6-methyl-7-(4-tolylhydrazono)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N6OS
InChI InChI=1S/C21H18N6OS/c1-12-8-10-15(11-9-12)22-24-20-14(3)26-27-19(23-25-21(27)29-20)18-13(2)16-6-4-5-7-17(16)28-18/h4-11,22H,1-3H3
InChIKey BUQZNOFJPDRIIY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20162
Molecular Weight 402.476 g/mol
SMILES N(N=C1C(=N[n]2c(-c3oc4ccccc4c3C)nnc2S1)C)c1ccc(cc1)C
SPLASH splash10-0uxr-3214900000-9c842663befef58798e4
Source of Spectrum HAC-16-626-12c
Synonyms 6-Methyl-3-(3-methylbenzofuran-2-yl)-7-(2-(p-tolyl)hydrazineylidene)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Wiley ID 1783598