1-[4-(2-oxidanyl-3-pyridin-2-ylsulfanyl-propoxy)phenyl]propan-1-one hydrochloride

Systemtic Name: 1-[4-(2-oxidanyl-3-pyridin-2-ylsulfanyl-propoxy)phenyl]propan-1-one hydrochloride Openeye Name: 1-[4-[2-hydroxy-3-(2-pyridylsulfanyl)propoxy]phenyl]propan-1-one hydrochloride CAS Name: 1-[4-[2-hydroxy-3-(2-pyridinylthio)propoxy]phenyl]-1-propanone hydrochloride IUPAC Name: 1-[4-(2-hydroxy-3-pyridin-2-ylsulfanylpropoxy)phenyl]propan-1-one hydrochloride Traditional Name: 1-[4-[2-hydroxy-3-(2-pyridylthio)propoxy]phenyl]propan-1-one hydrochloride Formula: C17H20ClNO3S MolecularWeight: 353.8636

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=CC=CC=N2)O.Cl

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=CC=CC=N2)O.Cl

InChI

InChI=1S/C17H19NO3S.ClH/c1-2-16(20)13-6-8-15(9-7-13)21-11-14(19)12-22-17-5-3-4-10-18-17;/h3-10,14,19H,2,11-12H2,1H3;1H