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3-pyridinecarboxamide, N-(4-chlorophenyl)-6-[[2-[(3-chlorophenyl)amino]-2-oxoethyl]thio]-5-cyano-4-(4-methoxyphenyl)-2-methyl-

View entire compound with spectra: 2 NMR

3-pyridinecarboxamide, N-(4-chlorophenyl)-6-[[2-[(3-chlorophenyl)amino]-2-oxoethyl]thio]-5-cyano-4-(4-methoxyphenyl)-2-methyl-
SpectraBase Compound ID ChKbTzuPICQ
InChI InChI=1S/C29H22Cl2N4O3S/c1-17-26(28(37)35-21-10-8-19(30)9-11-21)27(18-6-12-23(38-2)13-7-18)24(15-32)29(33-17)39-16-25(36)34-22-5-3-4-20(31)14-22/h3-14H,16H2,1-2H3,(H,34,36)(H,35,37)
InChIKey VQEDTLPQGRMUEJ-UHFFFAOYSA-N
Mol Weight 577.49 g/mol
Molecular Formula C29H22Cl2N4O3S
Exact Mass 576.078967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GmKSa4Ab2N3
Name 3-Pyridinecarboxamide, N-(4-chlorophenyl)-6-[[2-[(3-chlorophenyl)amino]-2-oxoethyl]thio]-5-cyano-4-(4-methoxyphenyl)-2-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 576.078967155 u
Formula C29H22Cl2N4O3S
InChI InChI=1S/C29H22Cl2N4O3S/c1-17-26(28(37)35-21-10-8-19(30)9-11-21)27(18-6-12-23(38-2)13-7-18)24(15-32)29(33-17)39-16-25(36)34-22-5-3-4-20(31)14-22/h3-14H,16H2,1-2H3,(H,34,36)(H,35,37)
InChIKey VQEDTLPQGRMUEJ-UHFFFAOYSA-N
Molecular Weight 577.486 g/mol
SMILES N(C(CSC1=C(C(=C(C(NC=2C=CC(=CC2)Cl)=O)C(=N1)C)C1=CC=C(C=C1)OC)C#N)=O)C=1C=C(Cl)C=CC1