2-(hydroxymethyl)-N-(3-pyridin-4-ylsulfanylpropyl)benzamide

Systemtic Name: 2-(hydroxymethyl)-N-(3-pyridin-4-ylsulfanylpropyl)benzamide Openeye Name: 2-(hydroxymethyl)-N-[3-(4-pyridylsulfanyl)propyl]benzamide CAS Name: 2-(hydroxymethyl)-N-[3-(pyridin-4-ylthio)propyl]benzamide IUPAC Name: 2-(hydroxymethyl)-N-(3-pyridin-4-ylsulfanylpropyl)benzamide Traditional Name: 2-methylol-N-[3-(4-pyridylthio)propyl]benzamide Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CO)C(=O)NCCCSC2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C(=C1)CO)C(=O)NCCCSC2=CC=NC=C2

InChI

InChI=1S/C16H18N2O2S/c19-12-13-4-1-2-5-15(13)16(20)18-8-3-11-21-14-6-9-17-10-7-14/h1-2,4-7,9-10,19H,3,8,11-12H2,(H,18,20)