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ethanone, 1-(1-ethyl-1H-indol-3-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]-

View entire compound with spectra: 2 NMR

ethanone, 1-(1-ethyl-1H-indol-3-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]-
SpectraBase Compound ID 2vWEsl6eqyM
InChI InChI=1S/C20H18N4OS/c1-2-24-12-16(15-10-6-7-11-17(15)24)18(25)13-26-20-21-19(22-23-20)14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,21,22,23)
InChIKey YEHORKVPYITNCX-UHFFFAOYSA-N
Mol Weight 362.45 g/mol
Molecular Formula C20H18N4OS
Exact Mass 362.120132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6rrRokuImg
Name Ethanone, 1-(1-ethyl-1H-indol-3-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.120132389 u
Formula C20H18N4OS
InChI InChI=1S/C20H18N4OS/c1-2-24-12-16(15-10-6-7-11-17(15)24)18(25)13-26-20-21-19(22-23-20)14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,21,22,23)
InChIKey YEHORKVPYITNCX-UHFFFAOYSA-N
Molecular Weight 362.451 g/mol
SMILES N1C(=NN=C1SCC(C1=CN(CC)C2=C1C=CC=C2)=O)C1=CC=CC=C1