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N-(3-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide

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N-(3-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
SpectraBase Compound ID 1veR0LZLUJj
InChI InChI=1S/C19H13ClN8OS/c1-11-15(22-26-27(11)14-9-7-13(20)8-10-14)16-23-24-19-28(16)25-18(30-19)21-17(29)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,25,29)
InChIKey PXMBFHKJQGOHSP-UHFFFAOYSA-N
Mol Weight 436.88 g/mol
Molecular Formula C19H13ClN8OS
Exact Mass 436.062156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JN3U0giWMD4
Name N-(3-(1-(4-Chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazol-6-yl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.062155944 u
Formula C19H13ClN8OS
InChI InChI=1S/C19H13ClN8OS/c1-11-15(22-26-27(11)14-9-7-13(20)8-10-14)16-23-24-19-28(16)25-18(30-19)21-17(29)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,25,29)
InChIKey PXMBFHKJQGOHSP-UHFFFAOYSA-N
Molecular Weight 436.881 g/mol
SMILES C1=CC(=CC=C1N1C(=C(C2=NN=C3N2N=C(S3)NC(C2=CC=CC=C2)=O)N=N1)C)Cl