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4,5-Dihydro-3-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)-5-p-tolylpyrazole-1-carbothioamide
SpectraBase Compound ID 4oEBt14a5wi
InChI InChI=1S/C21H22N6S/c1-13-4-8-16(9-5-13)19-12-18(24-27(19)21(22)28)20-15(3)26(25-23-20)17-10-6-14(2)7-11-17/h4-11,19H,12H2,1-3H3,(H2,22,28)
InChIKey WYWHLANKGQVDSB-UHFFFAOYSA-N
Mol Weight 390.51 g/mol
Molecular Formula C21H22N6S
Exact Mass 390.162666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CjFctDIaGTe
Name 4,5-Dihydro-3-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)-5-p-tolylpyrazole-1-carbothioamide
Comments Less than 3 mono-isotopic peaks
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Formula C21H22N6S
InChI InChI=1S/C21H22N6S/c1-13-4-8-16(9-5-13)19-12-18(24-27(19)21(22)28)20-15(3)26(25-23-20)17-10-6-14(2)7-11-17/h4-11,19H,12H2,1-3H3,(H2,22,28)
InChIKey WYWHLANKGQVDSB-UHFFFAOYSA-N
Molecular Weight 390.509 g/mol
SMILES NC(N1N=C(c2nn[n](c2C)-c2ccc(cc2)C)CC1c1ccc(cc1)C)=S
SPLASH splash10-03di-9000000000-9b075158394b5780d983
Source of Spectrum Y-48-1157-4b
Synonyms 5-[5-methyl-1-(4-methylphenyl)-4-triazolyl]-3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide 5-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide 5-[5-methyl-1-(p-tolyl)triazol-4-yl]-3-(p-tolyl)-3,4-dihydropyrazole-2-carbothioamide 5-[5-methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide
Wiley ID 1704591