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4,5-Dihydro-5-(3-methoxyphenyl)-3-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)-5-phenylpyrazole-1-carbothioamide

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4,5-Dihydro-5-(3-methoxyphenyl)-3-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)-5-phenylpyrazole-1-carbothioamide
SpectraBase Compound ID 5zank1Wofy6
InChI InChI=1S/C21H22N6OS/c1-13-7-9-16(10-8-13)26-14(2)20(23-25-26)18-12-19(27(24-18)21(22)29)15-5-4-6-17(11-15)28-3/h4-11,19H,12H2,1-3H3,(H2,22,29)
InChIKey UMQUTHXJVDHDFX-UHFFFAOYSA-N
Mol Weight 406.51 g/mol
Molecular Formula C21H22N6OS
Exact Mass 406.157581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lxnbof7y7J6
Name 4,5-Dihydro-5-(3-methoxyphenyl)-3-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)-5-phenylpyrazole-1-carbothioamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.157580525 u
Formula C21H22N6OS
InChI InChI=1S/C21H22N6OS/c1-13-7-9-16(10-8-13)26-14(2)20(23-25-26)18-12-19(27(24-18)21(22)29)15-5-4-6-17(11-15)28-3/h4-11,19H,12H2,1-3H3,(H2,22,29)
InChIKey UMQUTHXJVDHDFX-UHFFFAOYSA-N
Molecular Weight 406.508 g/mol
SMILES C=1(C2=NN(C(=S)N)C(C2)C2=CC(OC)=CC=C2)N=NN(C1C)C=1C=CC(=CC1)C