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acetamide, 2-(2-benzothiazolylthio)-N-[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]-
SpectraBase Compound ID 5jOn4l2YdDl
InChI InChI=1S/C20H17N3O2S3/c1-12-18(13-7-9-14(25-2)10-8-13)23-19(27-12)22-17(24)11-26-20-21-15-5-3-4-6-16(15)28-20/h3-10H,11H2,1-2H3,(H,22,23,24)
InChIKey PUHYJRPTCLGHTO-UHFFFAOYSA-N
Mol Weight 427.56 g/mol
Molecular Formula C20H17N3O2S3
Exact Mass 427.04829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mSWu4jbK3p
Name Acetamide, 2-(2-benzothiazolylthio)-N-[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.048290319 u
Formula C20H17N3O2S3
InChI InChI=1S/C20H17N3O2S3/c1-12-18(13-7-9-14(25-2)10-8-13)23-19(27-12)22-17(24)11-26-20-21-15-5-3-4-6-16(15)28-20/h3-10H,11H2,1-2H3,(H,22,23,24)
InChIKey PUHYJRPTCLGHTO-UHFFFAOYSA-N
Molecular Weight 427.555 g/mol
SMILES N(C1=NC(C2=CC=C(C=C2)OC)=C(S1)C)C(=O)CSC1=NC=2C=CC=CC2S1