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N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-bromanyl-benzamide

View entire compound with spectra: 3 MS (GC)

N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-bromanyl-benzamide
SpectraBase Compound ID 3oAMBz1j5V2
InChI InChI=1S/C16H10BrN3O3S/c17-11-4-2-1-3-10(11)14(21)18-16-20-19-15(24-16)9-5-6-12-13(7-9)23-8-22-12/h1-7H,8H2,(H,18,20,21)
InChIKey YMUDNQCJTMAGAL-UHFFFAOYSA-N
Mol Weight 404.24 g/mol
Molecular Formula C16H10BrN3O3S
Exact Mass 402.962625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jA5JTGb0y
Name N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-bromanyl-benzamide
CAS Registry Number 312524-78-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10BrN3O3S
InChI InChI=1S/C16H10BrN3O3S/c17-11-4-2-1-3-10(11)14(21)18-16-20-19-15(24-16)9-5-6-12-13(7-9)23-8-22-12/h1-7H,8H2,(H,18,20,21)
InChIKey YMUDNQCJTMAGAL-UHFFFAOYSA-N
Molecular Weight 404.238 g/mol
SMILES N(C(c1c(Br)cccc1)=O)c1sc(nn1)-c1cc2OCOc2cc1
SPLASH splash10-053i-5901000000-4b4eddc7fb161d46ab96
Synonyms N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-bromo-benzamide
Wiley ID 1465269