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5-(Benzo[d][1,3]dioxol-5-yl)-4,5-dihydro-3-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)pyrazole-1-carbothioamide
SpectraBase Compound ID 4OilRC0kqe0
InChI InChI=1S/C21H20N6O2S/c1-12-3-6-15(7-4-12)26-13(2)20(23-25-26)16-10-17(27(24-16)21(22)30)14-5-8-18-19(9-14)29-11-28-18/h3-9,17H,10-11H2,1-2H3,(H2,22,30)
InChIKey IMLMQTZAMNZDDR-UHFFFAOYSA-N
Mol Weight 420.49 g/mol
Molecular Formula C21H20N6O2S
Exact Mass 420.136845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9uZYVdnYe1
Name 5-(Benzo[d][1,3]dioxol-5-yl)-4,5-dihydro-3-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)pyrazole-1-carbothioamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N6O2S
InChI InChI=1S/C21H20N6O2S/c1-12-3-6-15(7-4-12)26-13(2)20(23-25-26)16-10-17(27(24-16)21(22)30)14-5-8-18-19(9-14)29-11-28-18/h3-9,17H,10-11H2,1-2H3,(H2,22,30)
InChIKey IMLMQTZAMNZDDR-UHFFFAOYSA-N
Molecular Weight 420.491 g/mol
SMILES NC(N1N=C(c2nn[n](c2C)-c2ccc(cc2)C)CC1c1cc2OCOc2cc1)=S
SPLASH splash10-03di-9000000000-c7e05d7530d0dd5ac5ad
Source of Spectrum Y-48-1158-4i
Wiley ID 1704584