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N-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

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N-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SpectraBase Compound ID HyDQ91Bn4DK
InChI InChI=1S/C16H19ClN4OS/c1-3-21-15(11-7-8-11)19-20-16(21)23-9-14(22)18-13-6-4-5-12(17)10(13)2/h4-6,11H,3,7-9H2,1-2H3,(H,18,22)
InChIKey OSSZTVWWNGMRFV-UHFFFAOYSA-N
Mol Weight 350.87 g/mol
Molecular Formula C16H19ClN4OS
Exact Mass 350.09681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Crgip5xgICe
Name N-(3-Chloro-2-methylphenyl)-2-[(5-cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.096810121 u
Formula C16H19ClN4OS
InChI InChI=1S/C16H19ClN4OS/c1-3-21-15(11-7-8-11)19-20-16(21)23-9-14(22)18-13-6-4-5-12(17)10(13)2/h4-6,11H,3,7-9H2,1-2H3,(H,18,22)
InChIKey OSSZTVWWNGMRFV-UHFFFAOYSA-N
Molecular Weight 350.868 g/mol
SMILES N(C1=C(C(Cl)=CC=C1)C)C(CSC=1N(C(=NN1)C1CC1)CC)=O