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N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-[(4-methyl-2-pyrimidinyl)sulfanyl]acetamide

View entire compound with spectra: 2 NMR

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-[(4-methyl-2-pyrimidinyl)sulfanyl]acetamide
SpectraBase Compound ID Inua9BWb5xR
InChI InChI=1S/C16H16N4OS2/c1-10-6-7-18-16(19-10)22-9-14(21)20-15-12(8-17)11-4-2-3-5-13(11)23-15/h6-7H,2-5,9H2,1H3,(H,20,21)
InChIKey JEZSJYMVVWXKKF-UHFFFAOYSA-N
Mol Weight 344.45 g/mol
Molecular Formula C16H16N4OS2
Exact Mass 344.076553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ahc0gdCV4Ng
Name N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-[(4-methyl-2-pyrimidinyl)sulfanyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.076553498 u
Formula C16H16N4OS2
InChI InChI=1S/C16H16N4OS2/c1-10-6-7-18-16(19-10)22-9-14(21)20-15-12(8-17)11-4-2-3-5-13(11)23-15/h6-7H,2-5,9H2,1H3,(H,20,21)
InChIKey JEZSJYMVVWXKKF-UHFFFAOYSA-N
Molecular Weight 344.451 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C#N)C(=O)CSC1=NC(C)=CC=N1