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N-[4-(acetylamino)phenyl]-2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

View entire compound with spectra: 2 NMR

N-[4-(acetylamino)phenyl]-2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID IcLCmnMnzOt
InChI InChI=1S/C25H22ClN5O3S/c1-16(32)27-19-7-9-20(10-8-19)28-23(33)15-35-25-30-29-24(17-3-5-18(26)6-4-17)31(25)21-11-13-22(34-2)14-12-21/h3-14H,15H2,1-2H3,(H,27,32)(H,28,33)
InChIKey RSJAZEAHNJTJET-UHFFFAOYSA-N
Mol Weight 508.0 g/mol
Molecular Formula C25H22ClN5O3S
Exact Mass 507.113188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ILof60tsvuv
Name N-[4-(Acetylamino)phenyl]-2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-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 507.113188459 u
Formula C25H22ClN5O3S
InChI InChI=1S/C25H22ClN5O3S/c1-16(32)27-19-7-9-20(10-8-19)28-23(33)15-35-25-30-29-24(17-3-5-18(26)6-4-17)31(25)21-11-13-22(34-2)14-12-21/h3-14H,15H2,1-2H3,(H,27,32)(H,28,33)
InChIKey RSJAZEAHNJTJET-UHFFFAOYSA-N
Molecular Weight 507.996 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC=C(C=C1)Cl)C1=CC=C(C=C1)OC)=O)C1=CC=C(NC(=O)C)C=C1