3-[3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propoxy]-1,2,4-thiadiazol-5-yl]phenol hydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCOC1=NSC(=N1)C2=CC(=CC=C2)O)CCC3=CC(=C(C=C3)OC)OC.Cl

Isomeric SMILES

CN(CCCOC1=NSC(=N1)C2=CC(=CC=C2)O)CCC3=CC(=C(C=C3)OC)OC.Cl

InChI

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