2-(3-fluoranylbenzo[b][1]benzoxepin-5-yl)sulfanyl-N-methyl-ethanamine hydrochloride

Systemtic Name: 2-(3-fluoranylbenzo[b][1]benzoxepin-5-yl)sulfanyl-N-methyl-ethanamine hydrochloride Openeye Name: 2-(3-fluorobenzo[b][1]benzoxepin-5-yl)sulfanyl-N-methyl-ethanamine hydrochloride CAS Name: 2-[(3-fluoro-5-benzo[b][1]benzoxepinyl)thio]-N-methylethanamine hydrochloride IUPAC Name: 2-(3-fluorobenzo[b][1]benzoxepin-5-yl)sulfanyl-N-methylethanamine hydrochloride Traditional Name: 2-[(3-fluorobenzo[b][1]benzoxepin-5-yl)thio]ethyl-methyl-amine hydrochloride Formula: C17H17ClFNOS MolecularWeight: 337.839383

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Descriptors Computed from Structure

Canonical SMILES:

CNCCSC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)F.Cl

Isomeric SMILES

CNCCSC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)F.Cl

InChI

InChI=1S/C17H16FNOS.ClH/c1-19-8-9-21-17-10-12-4-2-3-5-15(12)20-16-7-6-13(18)11-14(16)17;/h2-7,10-11,19H,8-9H2,1H3;1H