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3-(2-chlorophenyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-methyl-4-isoxazolecarboxamide

View entire compound with spectra: 2 NMR

3-(2-chlorophenyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID HKE1DoLUvmF
InChI InChI=1S/C15H13ClN4O2S2/c1-3-23-15-19-18-14(24-15)17-13(21)11-8(2)22-20-12(11)9-6-4-5-7-10(9)16/h4-7H,3H2,1-2H3,(H,17,18,21)
InChIKey XWTFXNCYNFNPLU-UHFFFAOYSA-N
Mol Weight 380.87 g/mol
Molecular Formula C15H13ClN4O2S2
Exact Mass 380.016846 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DObmEMOiOTT
Name 3-(2-Chlorophenyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-methyl-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.016845721 u
Formula C15H13ClN4O2S2
InChI InChI=1S/C15H13ClN4O2S2/c1-3-23-15-19-18-14(24-15)17-13(21)11-8(2)22-20-12(11)9-6-4-5-7-10(9)16/h4-7H,3H2,1-2H3,(H,17,18,21)
InChIKey XWTFXNCYNFNPLU-UHFFFAOYSA-N
Molecular Weight 380.868 g/mol
SMILES N(C=1SC(SCC)=NN1)C(C=1C(=NOC1C)C=1C(Cl)=CC=CC1)=O