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7H-3-[5-Methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-1,2,3-triazol-4-yl]-6-(p-methylphenyl)-s-triazolo[3,4-b]-1,3,4-thiadiazine

View entire compound with spectra: 1 MS (GC)

7H-3-[5-Methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-1,2,3-triazol-4-yl]-6-(p-methylphenyl)-s-triazolo[3,4-b]-1,3,4-thiadiazine
SpectraBase Compound ID BwnprWwqOeP
InChI InChI=1S/C21H19N7S/c1-13-4-8-16(9-5-13)18-12-29-21-24-23-20(28(21)25-18)19-15(3)27(26-22-19)17-10-6-14(2)7-11-17/h4-11H,12H2,1-3H3
InChIKey NPINRAJCHOGJGR-UHFFFAOYSA-N
Mol Weight 401.49 g/mol
Molecular Formula C21H19N7S
Exact Mass 401.142265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IgKKxZF3la
Name 7H-3-[5-Methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-1,2,3-triazol-4-yl]-6-(p-methylphenyl)-s-triazolo[3,4-b]-1,3,4-thiadiazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19N7S
InChI InChI=1S/C21H19N7S/c1-13-4-8-16(9-5-13)18-12-29-21-24-23-20(28(21)25-18)19-15(3)27(26-22-19)17-10-6-14(2)7-11-17/h4-11H,12H2,1-3H3
InChIKey NPINRAJCHOGJGR-UHFFFAOYSA-N
Molecular Weight 401.492 g/mol
SMILES c1([n]2c(nn1)SCC(=N2)c1ccc(cc1)C)-c1nn[n](c1C)-c1ccc(cc1)C
SPLASH splash10-014l-5940000000-0e8e5c3ec4cfcecf9e74
Source of Spectrum QA-47-543-6
Synonyms 7H-3-[5-Methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-6-(p-methylphenyl)-s-triazolo[3,4-b]-1,3,4-thiadiazine
Wiley ID 863541