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2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

View entire compound with spectra: 2 NMR

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 4usTHkcRP1E
InChI InChI=1S/C17H13F3N4OS2/c18-17(19,20)12-8-4-5-9-13(12)22-14(25)10-26-16-24-23-15(27-16)21-11-6-2-1-3-7-11/h1-9H,10H2,(H,21,23)(H,22,25)
InChIKey ORGQWCUZQSHNPC-UHFFFAOYSA-N
Mol Weight 410.43 g/mol
Molecular Formula C17H13F3N4OS2
Exact Mass 410.048288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6G5nC9cd09d
Name 2-[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.048287891 u
Formula C17H13F3N4OS2
InChI InChI=1S/C17H13F3N4OS2/c18-17(19,20)12-8-4-5-9-13(12)22-14(25)10-26-16-24-23-15(27-16)21-11-6-2-1-3-7-11/h1-9H,10H2,(H,21,23)(H,22,25)
InChIKey ORGQWCUZQSHNPC-UHFFFAOYSA-N
Molecular Weight 410.433 g/mol
SMILES N(C=1SC(SCC(NC=2C(C(F)(F)F)=CC=CC2)=O)=NN1)C1=CC=CC=C1