1-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-3-[(5-phenyl-1,2,4-thiadiazol-3-yl)oxy]propan-2-ol hydrochloride

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-3-[(5-phenyl-1,2,4-thiadiazol-3-yl)oxy]propan-2-ol hydrochloride Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-3-[(5-phenyl-1,2,4-thiadiazol-3-yl)oxy]propan-2-ol hydrochloride CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-[(5-phenyl-1,2,4-thiadiazol-3-yl)oxy]-2-propanol hydrochloride IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-[(5-phenyl-1,2,4-thiadiazol-3-yl)oxy]propan-2-ol hydrochloride Traditional Name: 1-[homoveratryl(methyl)amino]-3-[(5-phenyl-1,2,4-thiadiazol-3-yl)oxy]propan-2-ol hydrochloride Formula: C22H28ClN3O4S MolecularWeight: 465.99342

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)CC(COC2=NSC(=N2)C3=CC=CC=C3)O.Cl

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)CC(COC2=NSC(=N2)C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C22H27N3O4S.ClH/c1-25(12-11-16-9-10-19(27-2)20(13-16)28-3)14-18(26)15-29-22-23-21(30-24-22)17-7-5-4-6-8-17;/h4-10,13,18,26H,11-12,14-15H2,1-3H3;1H