2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(4-chlorophenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(4-chlorophenyl)pyridine-3-carboxamide Openeye Name: 2-[(2-acetamido-4-pyridyl)methylsulfanyl]-N-(4-chlorophenyl)pyridine-3-carboxamide CAS Name: 2-[(2-acetamido-4-pyridinyl)methylthio]-N-(4-chlorophenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(4-chlorophenyl)pyridine-3-carboxamide Traditional Name: 2-[(2-acetamido-4-pyridyl)methylthio]-N-(4-chlorophenyl)nicotinamide Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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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=C3)Cl

Isomeric SMILES

CC(=O)NC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClN4O2S/c1-13(26)24-18-11-14(8-10-22-18)12-28-20-17(3-2-9-23-20)19(27)25-16-6-4-15(21)5-7-16/h2-11H,12H2,1H3,(H,25,27)(H,22,24,26)