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acetamide, 2-[[5-[(2,4-dichlorophenoxy)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)-N-phenyl-

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acetamide, 2-[[5-[(2,4-dichlorophenoxy)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)-N-phenyl-
SpectraBase Compound ID 6w2cpVoPrWB
InChI InChI=1S/C27H26Cl2N4O2S/c1-18(2)32(21-9-5-4-6-10-21)26(34)17-36-27-31-30-25(33(27)22-11-7-8-19(3)14-22)16-35-24-13-12-20(28)15-23(24)29/h4-15,18H,16-17H2,1-3H3
InChIKey HRGCYENKYKJQDK-UHFFFAOYSA-N
Mol Weight 541.5 g/mol
Molecular Formula C27H26Cl2N4O2S
Exact Mass 540.115353 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9C3rNOOalpR
Name Acetamide, 2-[[5-[(2,4-dichlorophenoxy)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)-N-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 540.115352665 u
Formula C27H26Cl2N4O2S
InChI InChI=1S/C27H26Cl2N4O2S/c1-18(2)32(21-9-5-4-6-10-21)26(34)17-36-27-31-30-25(33(27)22-11-7-8-19(3)14-22)16-35-24-13-12-20(28)15-23(24)29/h4-15,18H,16-17H2,1-3H3
InChIKey HRGCYENKYKJQDK-UHFFFAOYSA-N
Molecular Weight 541.497 g/mol
SMILES C=1C=CC(N(C(CSC=2N(C(=NN2)COC=2C(=CC(=CC2)Cl)Cl)C2=CC(C)=CC=C2)=O)C(C)C)=CC1