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4-bromo-1-ethyl-N-[2-(phenylsulfanyl)phenyl]-1H-pyrazole-5-carboxamide

View entire compound with spectra: 2 NMR

4-bromo-1-ethyl-N-[2-(phenylsulfanyl)phenyl]-1H-pyrazole-5-carboxamide
SpectraBase Compound ID 3jvogsC325A
InChI InChI=1S/C18H16BrN3OS/c1-2-22-17(14(19)12-20-22)18(23)21-15-10-6-7-11-16(15)24-13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,21,23)
InChIKey HOIWKIGQBDNZPC-UHFFFAOYSA-N
Mol Weight 402.31 g/mol
Molecular Formula C18H16BrN3OS
Exact Mass 401.019746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5wOMtDkLm6T
Name 4-Bromo-1-ethyl-N-[2-(phenylsulfanyl)phenyl]-1H-pyrazole-5-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 401.019746320 u
Formula C18H16BrN3OS
InChI InChI=1S/C18H16BrN3OS/c1-2-22-17(14(19)12-20-22)18(23)21-15-10-6-7-11-16(15)24-13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,21,23)
InChIKey HOIWKIGQBDNZPC-UHFFFAOYSA-N
Molecular Weight 402.310 g/mol
SMILES N(C1=C(SC=2C=CC=CC2)C=CC=C1)C(C=1N(N=CC1Br)CC)=O