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2-{[5-({[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}methyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-chlorophenyl)ethanone

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2-{[5-({[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}methyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
SpectraBase Compound ID APZeuK1VQ18
InChI InChI=1S/C18H20ClN7O2S2/c1-3-20-15-22-16(21-4-2)24-17(23-15)29-10-14-25-26-18(28-14)30-9-13(27)11-5-7-12(19)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H2,20,21,22,23,24)
InChIKey VUYUSWIOZYTVGV-UHFFFAOYSA-N
Mol Weight 465.98 g/mol
Molecular Formula C18H20ClN7O2S2
Exact Mass 465.080843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ECmXvw4oh3u
Name 2-{[5-({[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}methyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.080842958 u
Formula C18H20ClN7O2S2
InChI InChI=1S/C18H20ClN7O2S2/c1-3-20-15-22-16(21-4-2)24-17(23-15)29-10-14-25-26-18(28-14)30-9-13(27)11-5-7-12(19)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H2,20,21,22,23,24)
InChIKey VUYUSWIOZYTVGV-UHFFFAOYSA-N
Molecular Weight 465.978 g/mol
SMILES N(C=1N=C(N=C(N1)SCC=1OC(SCC(C2=CC=C(C=C2)Cl)=O)=NN1)NCC)CC