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

Systemtic Name: 2-(hydroxymethyl)-N-(4-pyridin-4-ylsulfanylbutyl)benzamide Openeye Name: 2-(hydroxymethyl)-N-[4-(4-pyridylsulfanyl)butyl]benzamide CAS Name: 2-(hydroxymethyl)-N-[4-(pyridin-4-ylthio)butyl]benzamide IUPAC Name: 2-(hydroxymethyl)-N-(4-pyridin-4-ylsulfanylbutyl)benzamide Traditional Name: 2-methylol-N-[4-(4-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=NC=C2

Isomeric SMILES

C1=CC=C(C(=C1)CO)C(=O)NCCCCSC2=CC=NC=C2

InChI

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