2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Openeye Name: 2-[(2-acetamido-4-pyridyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide CAS Name: 2-[(2-acetamido-4-pyridinyl)methylthio]-N-(3,5-dimethylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(2-acetamido-4-pyridyl)methylthio]-N-(3,5-dimethylphenyl)nicotinamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)C)C

InChI

InChI=1S/C22H22N4O2S/c1-14-9-15(2)11-18(10-14)26-21(28)19-5-4-7-24-22(19)29-13-17-6-8-23-20(12-17)25-16(3)27/h4-12H,13H2,1-3H3,(H,26,28)(H,23,25,27)