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N-[4-(aminosulfonyl)phenyl]-2-{[4-(2-furylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 18VgduJCU6W
InChI InChI=1S/C21H19N5O4S2/c22-32(28,29)18-10-8-16(9-11-18)23-19(27)14-31-21-25-24-20(15-5-2-1-3-6-15)26(21)13-17-7-4-12-30-17/h1-12H,13-14H2,(H,23,27)(H2,22,28,29)
InChIKey PRLGXBGWBRKWOP-UHFFFAOYSA-N
Mol Weight 469.53 g/mol
Molecular Formula C21H19N5O4S2
Exact Mass 469.087846 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9wPl652xyIs
Name N-[4-(Aminosulfonyl)phenyl]-2-{[4-(2-furylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 469.087846456 u
Formula C21H19N5O4S2
InChI InChI=1S/C21H19N5O4S2/c22-32(28,29)18-10-8-16(9-11-18)23-19(27)14-31-21-25-24-20(15-5-2-1-3-6-15)26(21)13-17-7-4-12-30-17/h1-12H,13-14H2,(H,23,27)(H2,22,28,29)
InChIKey PRLGXBGWBRKWOP-UHFFFAOYSA-N
Molecular Weight 469.534 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC=CC=C1)CC=1OC=CC1)=O)C1=CC=C(S(=O)(=O)N)C=C1