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N-(2-chlorophenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-(2-chlorophenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
SpectraBase Compound ID 5cAEEADn2Db
InChI InChI=1S/C17H16ClN5OS/c1-11-6-5-9-15(12(11)2)23-17(20-21-22-23)25-10-16(24)19-14-8-4-3-7-13(14)18/h3-9H,10H2,1-2H3,(H,19,24)
InChIKey CTDPCTLAGJFEHM-UHFFFAOYSA-N
Mol Weight 373.86 g/mol
Molecular Formula C17H16ClN5OS
Exact Mass 373.076409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DOCswCAk1K0
Name N-(2-Chlorophenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.076409028 u
Formula C17H16ClN5OS
InChI InChI=1S/C17H16ClN5OS/c1-11-6-5-9-15(12(11)2)23-17(20-21-22-23)25-10-16(24)19-14-8-4-3-7-13(14)18/h3-9H,10H2,1-2H3,(H,19,24)
InChIKey CTDPCTLAGJFEHM-UHFFFAOYSA-N
Molecular Weight 373.862 g/mol
SMILES C=1C=CC(NC(CSC=2N(N=NN2)C2=C(C(=CC=C2)C)C)=O)=C(Cl)C1