2-(hydroxymethyl)-N-(4-pyridin-2-ylsulfanylbutyl)benzamide

Systemtic Name: 2-(hydroxymethyl)-N-(4-pyridin-2-ylsulfanylbutyl)benzamide Openeye Name: 2-(hydroxymethyl)-N-[4-(2-pyridylsulfanyl)butyl]benzamide CAS Name: 2-(hydroxymethyl)-N-[4-(2-pyridinylthio)butyl]benzamide IUPAC Name: 2-(hydroxymethyl)-N-(4-pyridin-2-ylsulfanylbutyl)benzamide Traditional Name: 2-methylol-N-[4-(2-pyridylthio)butyl]benzamide Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CO)C(=O)NCCCCSC2=CC=CC=N2

Isomeric SMILES

C1=CC=C(C(=C1)CO)C(=O)NCCCCSC2=CC=CC=N2

InChI

InChI=1S/C17H20N2O2S/c20-13-14-7-1-2-8-15(14)17(21)19-11-5-6-12-22-16-9-3-4-10-18-16/h1-4,7-10,20H,5-6,11-13H2,(H,19,21)