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2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

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2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SpectraBase Compound ID yI4qtkT9lq
InChI InChI=1S/C23H17N3O2S2/c1-14-6-11-18-20(12-14)30-22(25-18)15-7-9-16(10-8-15)24-21(27)13-29-23-26-17-4-2-3-5-19(17)28-23/h2-12H,13H2,1H3,(H,24,27)
InChIKey BWBWVWYEMZZYGA-UHFFFAOYSA-N
Mol Weight 431.53 g/mol
Molecular Formula C23H17N3O2S2
Exact Mass 431.076219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JFaeMXdc6LE
Name 2-(1,3-Benzoxazol-2-ylsulfanyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.076219145 u
Formula C23H17N3O2S2
InChI InChI=1S/C23H17N3O2S2/c1-14-6-11-18-20(12-14)30-22(25-18)15-7-9-16(10-8-15)24-21(27)13-29-23-26-17-4-2-3-5-19(17)28-23/h2-12H,13H2,1H3,(H,24,27)
InChIKey BWBWVWYEMZZYGA-UHFFFAOYSA-N
Molecular Weight 431.528 g/mol
SMILES N(C(=O)CSC1=NC=2C=CC=CC2O1)C=1C=CC(C2=NC=3C=CC(=CC3S2)C)=CC1