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2-thiophenecarboxamide, N-[[5-[[2-[3-(4-bromophenyl)-4,5-dihydro-5-(4-methylphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-

View entire compound with spectra: 2 NMR

2-thiophenecarboxamide, N-[[5-[[2-[3-(4-bromophenyl)-4,5-dihydro-5-(4-methylphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID 4TfqHa0Vx9C
InChI InChI=1S/C27H25BrN6O2S2/c1-17-5-7-19(8-6-17)22-14-21(18-9-11-20(28)12-10-18)32-34(22)25(35)16-38-27-31-30-24(33(27)2)15-29-26(36)23-4-3-13-37-23/h3-13,22H,14-16H2,1-2H3,(H,29,36)
InChIKey FTSMCGRWHJMCLX-UHFFFAOYSA-N
Mol Weight 609.56 g/mol
Molecular Formula C27H25BrN6O2S2
Exact Mass 608.066379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KUKSmGiPI6s
Name 2-Thiophenecarboxamide, N-[[5-[[2-[3-(4-bromophenyl)-4,5-dihydro-5-(4-methylphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 608.066379415 u
Formula C27H25BrN6O2S2
InChI InChI=1S/C27H25BrN6O2S2/c1-17-5-7-19(8-6-17)22-14-21(18-9-11-20(28)12-10-18)32-34(22)25(35)16-38-27-31-30-24(33(27)2)15-29-26(36)23-4-3-13-37-23/h3-13,22H,14-16H2,1-2H3,(H,29,36)
InChIKey FTSMCGRWHJMCLX-UHFFFAOYSA-N
Molecular Weight 609.561 g/mol
SMILES N(C(C=1SC=CC1)=O)CC=1N(C(SCC(N2N=C(C3=CC=C(C=C3)Br)CC2C2=CC=C(C=C2)C)=O)=NN1)C