2-[4-[2-(4-methoxyphenyl)-5-methylsulfanyl-pyrazol-3-yl]phenoxy]ethanamine hydrochloride

Systemtic Name: 2-[4-[2-(4-methoxyphenyl)-5-methylsulfanyl-pyrazol-3-yl]phenoxy]ethanamine hydrochloride Openeye Name: 2-[4-[2-(4-methoxyphenyl)-5-methylsulfanyl-pyrazol-3-yl]phenoxy]ethanamine hydrochloride CAS Name: 2-[4-[2-(4-methoxyphenyl)-5-(methylthio)-3-pyrazolyl]phenoxy]ethanamine hydrochloride IUPAC Name: 2-[4-[2-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-yl]phenoxy]ethanamine hydrochloride Traditional Name: 2-[4-[2-(4-methoxyphenyl)-5-(methylthio)pyrazol-3-yl]phenoxy]ethylamine hydrochloride Formula: C19H22ClN3O2S MolecularWeight: 391.91488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)SC)C3=CC=C(C=C3)OCCN.Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)SC)C3=CC=C(C=C3)OCCN.Cl

InChI

InChI=1S/C19H21N3O2S.ClH/c1-23-16-9-5-15(6-10-16)22-18(13-19(21-22)25-2)14-3-7-17(8-4-14)24-12-11-20;/h3-10,13H,11-12,20H2,1-2H3;1H