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

Systemtic Name: N-[3-(hydroxymethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-[3-(hydroxymethyl)phenyl]-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-[3-(hydroxymethyl)phenyl]-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-[3-(hydroxymethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(3-methylolphenyl)-2-(4-pyridylmethylthio)nicotinamide Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O2S/c23-12-15-3-1-4-16(11-15)22-18(24)17-5-2-8-21-19(17)25-13-14-6-9-20-10-7-14/h1-11,23H,12-13H2,(H,22,24)