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1-Benzoyl-3-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazol-4-yl]thiourea
SpectraBase Compound ID 5nQoyA5MX9X
InChI InChI=1S/C16H17N7OS/c1-10-9-11(2)22(20-10)16-19-18-12(3)23(16)21-15(25)17-14(24)13-7-5-4-6-8-13/h4-9H,1-3H3,(H2,17,21,24,25)
InChIKey PJVKYKVLJXKFMM-UHFFFAOYSA-N
Mol Weight 355.42 g/mol
Molecular Formula C16H17N7OS
Exact Mass 355.121529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IebI3H9FAn
Name 1-Benzoyl-3-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazol-4-yl]thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N7OS
InChI InChI=1S/C16H17N7OS/c1-10-9-11(2)22(20-10)16-19-18-12(3)23(16)21-15(25)17-14(24)13-7-5-4-6-8-13/h4-9H,1-3H3,(H2,17,21,24,25)
InChIKey PJVKYKVLJXKFMM-UHFFFAOYSA-N
Molecular Weight 355.420 g/mol
SMILES N(C(NC(=O)c1ccccc1)=S)[n]1c(-[n]2nc(C)cc2C)nnc1C
SPLASH splash10-0a4i-6910000000-64b3c7a6f75349045838
Synonyms N-[[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]carbamothioyl]benzamide N-[[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]benzamide N-[[[3-(3,5-dimethyl-1-pyrazolyl)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide
Wiley ID 1441044