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Benzamide, N-[5-[[(2-chlorophenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]-2-methoxy-3-methyl-
SpectraBase Compound ID 32x5Lr0qdyL
InChI InChI=1S/C18H16ClN3O2S2/c1-11-6-5-8-13(15(11)24-2)16(23)20-17-21-22-18(26-17)25-10-12-7-3-4-9-14(12)19/h3-9H,10H2,1-2H3,(H,20,21,23)
InChIKey DWBKUUVRTAMMOY-UHFFFAOYSA-N
Mol Weight 405.92 g/mol
Molecular Formula C18H16ClN3O2S2
Exact Mass 405.037247 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36w0bSC867t
Name Benzamide, N-[5-[[(2-chlorophenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]-2-methoxy-3-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.037246813 u
Formula C18H16ClN3O2S2
InChI InChI=1S/C18H16ClN3O2S2/c1-11-6-5-8-13(15(11)24-2)16(23)20-17-21-22-18(26-17)25-10-12-7-3-4-9-14(12)19/h3-9H,10H2,1-2H3,(H,20,21,23)
InChIKey DWBKUUVRTAMMOY-UHFFFAOYSA-N
Molecular Weight 405.918 g/mol
SMILES C(C1=CC=CC(=C1OC)C)(=O)NC1=NN=C(S1)SCC=1C(=CC=CC1)Cl