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benzenesulfonamide, N-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-N-methyl-
SpectraBase Compound ID JzA4OV1w5mi
InChI InChI=1S/C16H16N4O2S2/c1-19(24(21,22)14-10-6-3-7-11-14)12-15-17-18-16(23)20(15)13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,23)
InChIKey ZHDFHHGVSKODGD-UHFFFAOYSA-N
Mol Weight 360.45 g/mol
Molecular Formula C16H16N4O2S2
Exact Mass 360.071468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jp4HNydtqfF
Name Benzenesulfonamide, N-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-N-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.071468117 u
Formula C16H16N4O2S2
InChI InChI=1S/C16H16N4O2S2/c1-19(24(21,22)14-10-6-3-7-11-14)12-15-17-18-16(23)20(15)13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,23)
InChIKey ZHDFHHGVSKODGD-UHFFFAOYSA-N
Molecular Weight 360.450 g/mol
SMILES SC=1N(C(CN(S(C=2C=CC=CC2)(=O)=O)C)=NN1)C=1C=CC=CC1