4-[4-(2-hydroxyethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: 4-[4-(2-hydroxyethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: 4-[4-(2-hydroxyethyl)phenyl]-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: 4-[4-(2-hydroxyethyl)phenyl]-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: 4-[4-(2-hydroxyethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: 4-[4-(2-hydroxyethyl)phenyl]-2-(4-pyridylmethylthio)nicotinamide Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCO)C2=C(C(=NC=C2)SCC3=CC=NC=C3)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCO)C2=C(C(=NC=C2)SCC3=CC=NC=C3)C(=O)N

InChI

InChI=1S/C20H19N3O2S/c21-19(25)18-17(16-3-1-14(2-4-16)8-12-24)7-11-23-20(18)26-13-15-5-9-22-10-6-15/h1-7,9-11,24H,8,12-13H2,(H2,21,25)