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

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4,5-Dihydro-5-(3,4-dimethoxyphenyl)-3-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)pyrazole-1-carbothioamide
SpectraBase Compound ID EGrW7s65WWU
InChI InChI=1S/C22H24N6O2S/c1-13-5-8-16(9-6-13)27-14(2)21(24-26-27)17-12-18(28(25-17)22(23)31)15-7-10-19(29-3)20(11-15)30-4/h5-11,18H,12H2,1-4H3,(H2,23,31)
InChIKey WEBSGUXGAONOGS-UHFFFAOYSA-N
Mol Weight 436.53 g/mol
Molecular Formula C22H24N6O2S
Exact Mass 436.168145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FPYcDAOBkq
Name 4,5-Dihydro-5-(3,4-dimethoxyphenyl)-3-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)pyrazole-1-carbothioamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.168145209 u
Formula C22H24N6O2S
InChI InChI=1S/C22H24N6O2S/c1-13-5-8-16(9-6-13)27-14(2)21(24-26-27)17-12-18(28(25-17)22(23)31)15-7-10-19(29-3)20(11-15)30-4/h5-11,18H,12H2,1-4H3,(H2,23,31)
InChIKey WEBSGUXGAONOGS-UHFFFAOYSA-N
Molecular Weight 436.534 g/mol
SMILES C=1(C2=NN(C(=S)N)C(C2)C=2C=C(OC)C(=CC2)OC)N=NN(C1C)C=1C=CC(=CC1)C