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4,5-Dihydro-3-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)-5-phenylpyrazole-1-carbothioamide
SpectraBase Compound ID CKNywkwmSE5
InChI InChI=1S/C20H20N6S/c1-13-8-10-16(11-9-13)25-14(2)19(22-24-25)17-12-18(26(23-17)20(21)27)15-6-4-3-5-7-15/h3-11,18H,12H2,1-2H3,(H2,21,27)
InChIKey KVQQKMZYRXJZGE-UHFFFAOYSA-N
Mol Weight 376.48 g/mol
Molecular Formula C20H20N6S
Exact Mass 376.147016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJRrmz1hQ1a
Name 4,5-Dihydro-3-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)-5-phenylpyrazole-1-carbothioamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N6S
InChI InChI=1S/C20H20N6S/c1-13-8-10-16(11-9-13)25-14(2)19(22-24-25)17-12-18(26(23-17)20(21)27)15-6-4-3-5-7-15/h3-11,18H,12H2,1-2H3,(H2,21,27)
InChIKey KVQQKMZYRXJZGE-UHFFFAOYSA-N
Molecular Weight 376.482 g/mol
SMILES NC(N1N=C(c2nn[n](c2C)-c2ccc(cc2)C)CC1c1ccccc1)=S
SPLASH splash10-03di-9000000000-c321a11833a2359a17b5
Source of Spectrum Y-48-1157-4a
Wiley ID 1704592