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

Systemtic Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(5-chloranyl-2,4-dimethoxy-phenyl)pyridine-3-carboxamide Openeye Name: 2-[(2-acetamido-4-pyridyl)methylsulfanyl]-N-(5-chloro-2,4-dimethoxy-phenyl)pyridine-3-carboxamide CAS Name: 2-[(2-acetamido-4-pyridinyl)methylthio]-N-(5-chloro-2,4-dimethoxyphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-3-carboxamide Traditional Name: 2-[(2-acetamido-4-pyridyl)methylthio]-N-(5-chloro-2,4-dimethoxy-phenyl)nicotinamide Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CC(=O)NC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C22H21ClN4O4S/c1-13(28)26-20-9-14(6-8-24-20)12-32-22-15(5-4-7-25-22)21(29)27-17-10-16(23)18(30-2)11-19(17)31-3/h4-11H,12H2,1-3H3,(H,27,29)(H,24,26,28)