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N-(3,5-dichlorophenyl)-2-{[4-(2-furylmethyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID GmLyKoVppPp
InChI InChI=1S/C20H15Cl2N5O2S/c21-14-7-15(22)9-16(8-14)24-18(28)12-30-20-26-25-19(13-3-1-5-23-10-13)27(20)11-17-4-2-6-29-17/h1-10H,11-12H2,(H,24,28)
InChIKey UDOSMYZZOYSCJP-UHFFFAOYSA-N
Mol Weight 460.34 g/mol
Molecular Formula C20H15Cl2N5O2S
Exact Mass 459.032351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4M2JNvTV7tK
Name N-(3,5-Dichlorophenyl)-2-{[4-(2-furylmethyl)-5-(3-pyridinyl)-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 459.032351315 u
Formula C20H15Cl2N5O2S
InChI InChI=1S/C20H15Cl2N5O2S/c21-14-7-15(22)9-16(8-14)24-18(28)12-30-20-26-25-19(13-3-1-5-23-10-13)27(20)11-17-4-2-6-29-17/h1-10H,11-12H2,(H,24,28)
InChIKey UDOSMYZZOYSCJP-UHFFFAOYSA-N
Molecular Weight 460.339 g/mol
SMILES N(C1=CC(Cl)=CC(=C1)Cl)C(CSC=1N(C(=NN1)C=1C=NC=CC1)CC=1OC=CC1)=O