2-oxidanyl-N-(3-pyridin-4-ylsulfanylpropyl)benzamide hydrochloride

Systemtic Name: 2-oxidanyl-N-(3-pyridin-4-ylsulfanylpropyl)benzamide hydrochloride Openeye Name: 2-hydroxy-N-[3-(4-pyridylsulfanyl)propyl]benzamide hydrochloride CAS Name: 2-hydroxy-N-[3-(pyridin-4-ylthio)propyl]benzamide hydrochloride IUPAC Name: 2-hydroxy-N-(3-pyridin-4-ylsulfanylpropyl)benzamide hydrochloride Traditional Name: 2-hydroxy-N-[3-(4-pyridylthio)propyl]benzamide hydrochloride Formula: C15H17ClN2O2S MolecularWeight: 324.82568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCSC2=CC=NC=C2)O.Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCSC2=CC=NC=C2)O.Cl

InChI

InChI=1S/C15H16N2O2S.ClH/c18-14-5-2-1-4-13(14)15(19)17-8-3-11-20-12-6-9-16-10-7-12;/h1-2,4-7,9-10,18H,3,8,11H2,(H,17,19);1H