1-(2-tert-butyl-4-methyl-phenoxy)-3-pyridin-2-ylsulfanyl-propan-2-ol hydrochloride

Systemtic Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-pyridin-2-ylsulfanyl-propan-2-ol hydrochloride Openeye Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-(2-pyridylsulfanyl)propan-2-ol hydrochloride CAS Name: 1-(2-tert-butyl-4-methylphenoxy)-3-(2-pyridinylthio)-2-propanol hydrochloride IUPAC Name: 1-(2-tert-butyl-4-methylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol hydrochloride Traditional Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-(2-pyridylthio)propan-2-ol hydrochloride Formula: C19H26ClNO2S MolecularWeight: 367.93324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO2S.ClH/c1-14-8-9-17(16(11-14)19(2,3)4)22-12-15(21)13-23-18-7-5-6-10-20-18;/h5-11,15,21H,12-13H2,1-4H3;1H