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6-(3-(5-Methylisoxazol-3-yl)-4-phenyl-1,2,4-triazol-5-methylthio)-3-phenyl-s-triazolo[3,4-b]-1,3,4-thiadiazole

View entire compound with spectra: 1 MS (GC)

6-(3-(5-Methylisoxazol-3-yl)-4-phenyl-1,2,4-triazol-5-methylthio)-3-phenyl-s-triazolo[3,4-b]-1,3,4-thiadiazole
SpectraBase Compound ID DdiL5W9F8Js
InChI InChI=1S/C22H16N8OS2/c1-14-12-17(28-31-14)20-24-25-21(29(20)16-10-6-3-7-11-16)32-13-18-27-30-19(23-26-22(30)33-18)15-8-4-2-5-9-15/h2-12H,13H2,1H3
InChIKey HASCBXKTBLAOFV-UHFFFAOYSA-N
Mol Weight 472.55 g/mol
Molecular Formula C22H16N8OS2
Exact Mass 472.08885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lLlFcjhkl5
Name 6-(3-(5-Methylisoxazol-3-yl)-4-phenyl-1,2,4-triazol-5-methylthio)-3-phenyl-s-triazolo[3,4-b]-1,3,4-thiadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N8OS2
InChI InChI=1S/C22H16N8OS2/c1-14-12-17(28-31-14)20-24-25-21(29(20)16-10-6-3-7-11-16)32-13-18-27-30-19(23-26-22(30)33-18)15-8-4-2-5-9-15/h2-12H,13H2,1H3
InChIKey HASCBXKTBLAOFV-UHFFFAOYSA-N
Molecular Weight 472.545 g/mol
SMILES c12[n](N=C(S2)CSc2[n](c(-c3noc(c3)C)nn2)-c2ccccc2)c(nn1)-c1ccccc1
SPLASH splash10-0a6r-5290000000-db3c0f3cc24411385cec
Source of Spectrum QA-47-538-9
Synonyms 5-(5-Methyl-3-isoxazolyl)-4-phenyl-4H-1,2,4-triazol-3-yl (3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl sulfide 6-(3-(5-Methylisoxazol-3-yl)-4-phenyl-1,2,4-triazol-5-methylthio)-3-phenyl-s-triazolo[3,4-b]-1,3,4-thiadiazine 6-({[5-(5-methyl-3-isoxazolyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Wiley ID 863546