N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-(4-pyridylmethylthio)nicotinamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3)Cl)OC

InChI

InChI=1S/C20H18ClN3O3S/c1-26-17-11-18(27-2)16(10-15(17)21)24-19(25)14-4-3-7-23-20(14)28-12-13-5-8-22-9-6-13/h3-11H,12H2,1-2H3,(H,24,25)