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acetamide, N-(3-methoxyphenyl)-2-[[5-[[2-[(3-methoxyphenyl)amino]-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]thio]-
SpectraBase Compound ID F5FPoMiG8kf
InChI InChI=1S/C20H20N4O4S3/c1-27-15-7-3-5-13(9-15)21-17(25)11-29-19-23-24-20(31-19)30-12-18(26)22-14-6-4-8-16(10-14)28-2/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKey VELNVAPMOHETMK-UHFFFAOYSA-N
Mol Weight 476.58 g/mol
Molecular Formula C20H20N4O4S3
Exact Mass 476.064669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6hRVBQPmIpM
Name Acetamide, N-(3-methoxyphenyl)-2-[[5-[[2-[(3-methoxyphenyl)amino]-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]thio]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.064668658 u
Formula C20H20N4O4S3
InChI InChI=1S/C20H20N4O4S3/c1-27-15-7-3-5-13(9-15)21-17(25)11-29-19-23-24-20(31-19)30-12-18(26)22-14-6-4-8-16(10-14)28-2/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKey VELNVAPMOHETMK-UHFFFAOYSA-N
Molecular Weight 476.584 g/mol
SMILES N(C(CSC=1SC(SCC(NC2=CC(OC)=CC=C2)=O)=NN1)=O)C1=CC(OC)=CC=C1