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

Systemtic Name: 1-[4-(2-oxidanyl-3-pyridin-2-ylsulfanyl-propoxy)phenyl]ethanone hydrochloride Openeye Name: 1-[4-[2-hydroxy-3-(2-pyridylsulfanyl)propoxy]phenyl]ethanone hydrochloride CAS Name: 1-[4-[2-hydroxy-3-(2-pyridinylthio)propoxy]phenyl]ethanone hydrochloride IUPAC Name: 1-[4-(2-hydroxy-3-pyridin-2-ylsulfanylpropoxy)phenyl]ethanone hydrochloride Traditional Name: 1-[4-[2-hydroxy-3-(2-pyridylthio)propoxy]phenyl]ethanone hydrochloride Formula: C16H18ClNO3S MolecularWeight: 339.83702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO3S.ClH/c1-12(18)13-5-7-15(8-6-13)20-10-14(19)11-21-16-4-2-3-9-17-16;/h2-9,14,19H,10-11H2,1H3;1H