1-pyridin-2-ylsulfanyl-3-(2,3,5-trimethylphenoxy)propan-2-ol hydrochloride

Systemtic Name: 1-pyridin-2-ylsulfanyl-3-(2,3,5-trimethylphenoxy)propan-2-ol hydrochloride Openeye Name: 1-(2-pyridylsulfanyl)-3-(2,3,5-trimethylphenoxy)propan-2-ol hydrochloride CAS Name: 1-(2-pyridinylthio)-3-(2,3,5-trimethylphenoxy)-2-propanol hydrochloride IUPAC Name: 1-pyridin-2-ylsulfanyl-3-(2,3,5-trimethylphenoxy)propan-2-ol hydrochloride Traditional Name: 1-(2-pyridylthio)-3-(2,3,5-trimethylphenoxy)propan-2-ol hydrochloride Formula: C17H22ClNO2S MolecularWeight: 339.88008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC(CSC2=CC=CC=N2)O)C)C.Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)OCC(CSC2=CC=CC=N2)O)C)C.Cl

InChI

InChI=1S/C17H21NO2S.ClH/c1-12-8-13(2)14(3)16(9-12)20-10-15(19)11-21-17-6-4-5-7-18-17;/h4-9,15,19H,10-11H2,1-3H3;1H